5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C15H26N4O — CID 131650197

IUPAC5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCCn1nnc2c1CCN(CC1CCCC1)C2COC
InChIInChI=1S/C15H26N4O/c1-3-19-13-8-9-18(10-12-6-4-5-7-12)14(11-20-2)15(13)16-17-19/h12,14H,3-11H2,1-2H3
InChIKeyJZIDOMJNZXALJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds5

About 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 131650197) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID131650197
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCCn1nnc2c1CCN(CC1CCCC1)C2COC
InChIInChI=1S/C15H26N4O/c1-3-19-13-8-9-18(10-12-6-4-5-7-12)14(11-20-2)15(13)16-17-19/h12,14H,3-11H2,1-2H3
InChIKeyJZIDOMJNZXALJI-UHFFFAOYSA-N
XLogP2.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368805
3-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 131660751
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383191
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383189
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383196
1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 131649970
1-[(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368853
2-(cyclohexen-1-yl)-1-[1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 131658726
(4R)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-prop-2-enyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368880
(4S)-1-ethyl-4-(methoxymethyl)-5-(1-methylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97468594

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 131650197) is 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is CCn1nnc2c1CCN(CC1CCCC1)C2COC.
What is the InChIKey of 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is JZIDOMJNZXALJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-19-13-8-9-18(10-12-6-4-5-7-12)14(11-20-2)15(13)16-17-19/h12,14H,3-11H2,1-2H3.
What are the key properties of 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 131650197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).