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

C13H19N5 — CID 1460802

IUPACN-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-10-8-12(18-13(16-10)14-9-15-18)17-11-6-4-2-3-5-7-11/h8-9,11,17H,2-7H2,1H3
InChIKeyWWKBIGWKFDOAMY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.57
Rot. Bonds2

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

N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1460802) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1460802
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-10-8-12(18-13(16-10)14-9-15-18)17-11-6-4-2-3-5-7-11/h8-9,11,17H,2-7H2,1H3
InChIKeyWWKBIGWKFDOAMY-UHFFFAOYSA-N
XLogP2.57
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1460802) is N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCCCC2)n2ncnc2n1.
What is the InChIKey of N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WWKBIGWKFDOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-8-12(18-13(16-10)14-9-15-18)17-11-6-4-2-3-5-7-11/h8-9,11,17H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1460802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).