(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C18H22N6O — CID 95303181

IUPAC(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ccnc1COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1
InChIInChI=1S/C18H22N6O/c1-23-9-8-19-18(23)12-25-16-5-2-14(3-6-16)10-20-15-4-7-17-21-13-22-24(17)11-15/h2-3,5-6,8-9,13,15,20H,4,7,10-12H2,1H3/t15-/m0/s1
InChIKeyFCDFXZLPEMIHMW-HNNXBMFYSA-N
MW338.42 g/mol
LogP1.70
Rot. Bonds6

About (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95303181) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95303181
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ccnc1COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1
InChIInChI=1S/C18H22N6O/c1-23-9-8-19-18(23)12-25-16-5-2-14(3-6-16)10-20-15-4-7-17-21-13-22-24(17)11-15/h2-3,5-6,8-9,13,15,20H,4,7,10-12H2,1H3/t15-/m0/s1
InChIKeyFCDFXZLPEMIHMW-HNNXBMFYSA-N
XLogP1.70
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127514
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
(2R)-1-(4-chlorophenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95337358
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95303181) is (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cn1ccnc1COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1.
What is the InChIKey of (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is FCDFXZLPEMIHMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-9-8-19-18(23)12-25-16-5-2-14(3-6-16)10-20-15-4-7-17-21-13-22-24(17)11-15/h2-3,5-6,8-9,13,15,20H,4,7,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 338.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95303181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).