2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone

C18H26N4O2 — CID 97369064

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C18H26N4O2/c1-24-12-15-10-21(17(23)8-13-4-2-3-5-13)11-16-18(15)22(20-19-16)9-14-6-7-14/h2,4,13-15H,3,5-12H2,1H3/t13-,15+/m1/s1
InChIKeyWWJZDHXUTWIBND-HIFRSBDPSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97369064) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97369064
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C18H26N4O2/c1-24-12-15-10-21(17(23)8-13-4-2-3-5-13)11-16-18(15)22(20-19-16)9-14-6-7-14/h2,4,13-15H,3,5-12H2,1H3/t13-,15+/m1/s1
InChIKeyWWJZDHXUTWIBND-HIFRSBDPSA-N
XLogP2.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-1-[(7R)-1-methyl-7-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 97468668
2-cyclopent-2-en-1-yl-1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 131653621
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97369042
2-[(1S)-cyclopent-2-en-1-yl]-1-[(7R)-7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 97415430
2-[[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383527
2-[(1S)-cyclopent-2-en-1-yl]-1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 97368716
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382934
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97369076
1-(cyclopropylmethyl)-5-[(5-ethylfuran-2-yl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155834829
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 131657777
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97390945
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134070258

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone (CID 97369064) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone is COC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(CC3CC3)c21.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is WWJZDHXUTWIBND-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-24-12-15-10-21(17(23)8-13-4-2-3-5-13)11-16-18(15)22(20-19-16)9-14-6-7-14/h2,4,13-15H,3,5-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97369064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).