1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine

C13H18N4 — CID 83866657

IUPAC1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine
SMILESCC(C)Cc1nnc2ccc(C3(N)CC3)cn12
InChIInChI=1S/C13H18N4/c1-9(2)7-12-16-15-11-4-3-10(8-17(11)12)13(14)5-6-13/h3-4,8-9H,5-7,14H2,1-2H3
InChIKeyNUFYDNKEZZVINI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.88
Rot. Bonds3

About 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine

1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine (PubChem CID 83866657) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine
PubChem CID83866657
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine
SMILESCC(C)Cc1nnc2ccc(C3(N)CC3)cn12
InChIInChI=1S/C13H18N4/c1-9(2)7-12-16-15-11-4-3-10(8-17(11)12)13(14)5-6-13/h3-4,8-9H,5-7,14H2,1-2H3
InChIKeyNUFYDNKEZZVINI-UHFFFAOYSA-N
XLogP1.88
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine (CID 83866657) is 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine is CC(C)Cc1nnc2ccc(C3(N)CC3)cn12.
What is the InChIKey of 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine?
The InChIKey is NUFYDNKEZZVINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)7-12-16-15-11-4-3-10(8-17(11)12)13(14)5-6-13/h3-4,8-9H,5-7,14H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine?
1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine is sourced from PubChem (CID 83866657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).