1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol

C14H24N4O — CID 95310254

IUPAC1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1nc2n(n1)C[C@@H](NCC1(O)CCCCC1)CC2
InChIInChI=1S/C14H24N4O/c1-11-16-13-6-5-12(9-18(13)17-11)15-10-14(19)7-3-2-4-8-14/h12,15,19H,2-10H2,1H3/t12-/m0/s1
InChIKeyMHWPHWFDOGMRCT-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds3

About 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol

1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 95310254) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol
PubChem CID95310254
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1nc2n(n1)C[C@@H](NCC1(O)CCCCC1)CC2
InChIInChI=1S/C14H24N4O/c1-11-16-13-6-5-12(9-18(13)17-11)15-10-14(19)7-3-2-4-8-14/h12,15,19H,2-10H2,1H3/t12-/m0/s1
InChIKeyMHWPHWFDOGMRCT-LBPRGKRZSA-N
XLogP1.19
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
5-[(1-hydroxycyclohexyl)methylamino]-1-methylpiperidin-2-one
CID 64656753
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95351614
(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95325981
5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95758084
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
(6R)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95609048
(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 95979274
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
(1R)-1-(2-chlorophenyl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanol
CID 95979079
N,N-dimethyl-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propane-1-sulfonamide
CID 95758078
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664

Frequently Asked Questions

What is the IUPAC name of 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol (CID 95310254) is 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol is Cc1nc2n(n1)C[C@@H](NCC1(O)CCCCC1)CC2.
What is the InChIKey of 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MHWPHWFDOGMRCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-16-13-6-5-12(9-18(13)17-11)15-10-14(19)7-3-2-4-8-14/h12,15,19H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol?
1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95310254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).