N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H20N4 — CID 62046630

IUPACN-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCCC(CC)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C13H20N4/c1-4-6-11(5-2)16-13-8-10(3)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3
InChIKeyNDCANAVJQSRCBX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.03
Rot. Bonds5

About N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 62046630) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID62046630
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCCC(CC)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C13H20N4/c1-4-6-11(5-2)16-13-8-10(3)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3
InChIKeyNDCANAVJQSRCBX-UHFFFAOYSA-N
XLogP3.03
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 62046630) is N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CCCC(CC)Nc1cc(C)cc2ncnn12.
What is the InChIKey of N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is NDCANAVJQSRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-6-11(5-2)16-13-8-10(3)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 62046630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).