1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C18H23N5O2 — CID 118739496

IUPAC1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCn1nnc2c1C(COCC1CC1)CN(C(=O)Cc1ccccn1)C2
InChIInChI=1S/C18H23N5O2/c1-22-18-14(12-25-11-13-5-6-13)9-23(10-16(18)20-21-22)17(24)8-15-4-2-3-7-19-15/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeyCPSSLZARRYPHBD-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.31
Rot. Bonds6

About 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118739496) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID118739496
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCn1nnc2c1C(COCC1CC1)CN(C(=O)Cc1ccccn1)C2
InChIInChI=1S/C18H23N5O2/c1-22-18-14(12-25-11-13-5-6-13)9-23(10-16(18)20-21-22)17(24)8-15-4-2-3-7-19-15/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeyCPSSLZARRYPHBD-UHFFFAOYSA-N
XLogP1.31
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118738886
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 118739380
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 118739388
1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739575
1-[4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118740724
1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118741007
1-[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741020
1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741091
1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741101
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741102
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 118741105
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118743588

Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118739496) is 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is Cn1nnc2c1C(COCC1CC1)CN(C(=O)Cc1ccccn1)C2.
What is the InChIKey of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is CPSSLZARRYPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-18-14(12-25-11-13-5-6-13)9-23(10-16(18)20-21-22)17(24)8-15-4-2-3-7-19-15/h2-4,7,13-14H,5-6,8-12H2,1H3.
What are the key properties of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 341.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118739496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).