[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol

C15H26N4O — CID 107077626

IUPAC[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1nnc2n1CCCC2
InChIInChI=1S/C15H26N4O/c20-11-13-6-2-1-5-12(13)9-16-10-15-18-17-14-7-3-4-8-19(14)15/h12-13,16,20H,1-11H2
InChIKeyFLDKOXGLYRSNSB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.50
Rot. Bonds5

About [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol

[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 107077626) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID107077626
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1nnc2n1CCCC2
InChIInChI=1S/C15H26N4O/c20-11-13-6-2-1-5-12(13)9-16-10-15-18-17-14-7-3-4-8-19(14)15/h12-13,16,20H,1-11H2
InChIKeyFLDKOXGLYRSNSB-UHFFFAOYSA-N
XLogP1.50
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol with MolForge

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentanamine
CID 60664034
1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077080
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119109261
4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 107077584
3-pyrrolidin-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 107077486
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine
CID 107078674
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
CID 107077197
1-(cyclopropylmethyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111869152
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-1-amine
CID 107077543
1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine
CID 84587882
2-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077852

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol (CID 107077626) is [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNCc1nnc2n1CCCC2.
What is the InChIKey of [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is FLDKOXGLYRSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-11-13-6-2-1-5-12(13)9-16-10-15-18-17-14-7-3-4-8-19(14)15/h12-13,16,20H,1-11H2.
What are the key properties of [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol?
[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 107077626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).