2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine

C16H28N4 — CID 104628474

IUPAC2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1nnc2n1CCCC2
InChIInChI=1S/C16H28N4/c1-12(2)13-7-3-4-8-14(13)17-11-16-19-18-15-9-5-6-10-20(15)16/h12-14,17H,3-11H2,1-2H3
InChIKeyPFCZPXFIVIQKSR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.92
Rot. Bonds4

About 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine

2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 104628474) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID104628474
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1nnc2n1CCCC2
InChIInChI=1S/C16H28N4/c1-12(2)13-7-3-4-8-14(13)17-11-16-19-18-15-9-5-6-10-20(15)16/h12-14,17H,3-11H2,1-2H3
InChIKeyPFCZPXFIVIQKSR-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine (CID 104628474) is 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine is CC(C)C1CCCCC1NCc1nnc2n1CCCC2.
What is the InChIKey of 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is PFCZPXFIVIQKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)13-7-3-4-8-14(13)17-11-16-19-18-15-9-5-6-10-20(15)16/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine?
2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 104628474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).