N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H23N5 — CID 68741525

IUPACN-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCNc1ccnc2ncnn12)CC(C)(C)C
InChIInChI=1S/C14H23N5/c1-11(9-14(2,3)4)5-7-15-12-6-8-16-13-17-10-18-19(12)13/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyXRTYAWUUYPTPLW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68741525) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID68741525
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCNc1ccnc2ncnn12)CC(C)(C)C
InChIInChI=1S/C14H23N5/c1-11(9-14(2,3)4)5-7-15-12-6-8-16-13-17-10-18-19(12)13/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyXRTYAWUUYPTPLW-UHFFFAOYSA-N
XLogP3.00
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 68741525) is N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(CCNc1ccnc2ncnn12)CC(C)(C)C.
What is the InChIKey of N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XRTYAWUUYPTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(9-14(2,3)4)5-7-15-12-6-8-16-13-17-10-18-19(12)13/h6,8,10-11,15H,5,7,9H2,1-4H3.
What are the key properties of N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68741525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).