[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine

C15H26N4O — CID 107078207

IUPAC[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COCc1nnc2n1CCCC2
InChIInChI=1S/C15H26N4O/c16-9-12-5-1-2-6-13(12)10-20-11-15-18-17-14-7-3-4-8-19(14)15/h12-13H,1-11,16H2
InChIKeySYVKSAPQATTWON-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds5

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

[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine (PubChem CID 107078207) 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-ylmethoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine
PubChem CID107078207
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-ylmethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COCc1nnc2n1CCCC2
InChIInChI=1S/C15H26N4O/c16-9-12-5-1-2-6-13(12)10-20-11-15-18-17-14-7-3-4-8-19(14)15/h12-13H,1-11,16H2
InChIKeySYVKSAPQATTWON-UHFFFAOYSA-N
XLogP1.90
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)acetic acid
CID 62875346
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 47003546
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 81057520
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81056866
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
CID 106938434
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
CID 107076318
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentanamine
CID 60664034
2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 81073221

Frequently Asked Questions

What is the IUPAC name of [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine (CID 107078207) is [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine is NCC1CCCCC1COCc1nnc2n1CCCC2.
What is the InChIKey of [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine?
The InChIKey is SYVKSAPQATTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c16-9-12-5-1-2-6-13(12)10-20-11-15-18-17-14-7-3-4-8-19(14)15/h12-13H,1-11,16H2.
What are the key properties of [2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine?
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 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-ylmethoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 107078207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).