2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone

C20H26N4O2 — CID 97468613

IUPAC2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCCn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-2-24-17-10-11-23(19(25)12-15-8-9-15)18(20(17)21-22-24)14-26-13-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3/t18-/m0/s1
InChIKeyGGMXMMPSCNQKPI-SFHVURJKSA-N
MW354.45 g/mol
LogP2.74
Rot. Bonds7

About 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone

2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97468613) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97468613
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCCn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-2-24-17-10-11-23(19(25)12-15-8-9-15)18(20(17)21-22-24)14-26-13-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3/t18-/m0/s1
InChIKeyGGMXMMPSCNQKPI-SFHVURJKSA-N
XLogP2.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131658268
N,N,1-trimethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
CID 118739732
cyclopent-3-en-1-yl-[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 131652046
5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659933
(4S)-5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368898
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
N,N-dimethyl-2-[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 118746710
4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746859
(4S)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383171
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118745430

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone (CID 97468613) is 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone is CCn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCc1ccccc1.
What is the InChIKey of 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is GGMXMMPSCNQKPI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-24-17-10-11-23(19(25)12-15-8-9-15)18(20(17)21-22-24)14-26-13-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone?
2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97468613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).