N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H17N5 — CID 18191230

IUPACN-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCC2)n2ncnc2n1
InChIInChI=1S/C12H17N5/c1-9-7-11(16-10-5-3-2-4-6-10)17-12(15-9)13-8-14-17/h7-8,10,16H,2-6H2,1H3
InChIKeyLABDAERVBUYDMB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds2

About N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18191230) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18191230
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCC2)n2ncnc2n1
InChIInChI=1S/C12H17N5/c1-9-7-11(16-10-5-3-2-4-6-10)17-12(15-9)13-8-14-17/h7-8,10,16H,2-6H2,1H3
InChIKeyLABDAERVBUYDMB-UHFFFAOYSA-N
XLogP2.18
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18191230) is N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCCC2)n2ncnc2n1.
What is the InChIKey of N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LABDAERVBUYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-11(16-10-5-3-2-4-6-10)17-12(15-9)13-8-14-17/h7-8,10,16H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 231.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18191230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).