(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C16H22N4OS — CID 97368805

IUPAC(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-21-10-15-16-14(20(18-17-16)9-12-2-3-12)4-6-19(15)8-13-5-7-22-11-13/h5,7,11-12,15H,2-4,6,8-10H2,1H3/t15-/m0/s1
InChIKeyVBNHSBRDIMSUHI-HNNXBMFYSA-N
MW318.45 g/mol
LogP2.50
Rot. Bonds6

About (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97368805) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97368805
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-21-10-15-16-14(20(18-17-16)9-12-2-3-12)4-6-19(15)8-13-5-7-22-11-13/h5,7,11-12,15H,2-4,6,8-10H2,1H3/t15-/m0/s1
InChIKeyVBNHSBRDIMSUHI-HNNXBMFYSA-N
XLogP2.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
(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
3-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 131660751
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131650197
5-[(4-ethylphenyl)methyl]-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118742960
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131653386
(4R)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-prop-2-enyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368880
5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659933

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97368805) is (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is VBNHSBRDIMSUHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-21-10-15-16-14(20(18-17-16)9-12-2-3-12)4-6-19(15)8-13-5-7-22-11-13/h5,7,11-12,15H,2-4,6,8-10H2,1H3/t15-/m0/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 318.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97368805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).