N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C17H21N5 — CID 56553711

IUPACN-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCCCCC3)n2n1
InChIInChI=1S/C17H21N5/c1-12-18-16-14-10-6-7-11-15(14)20-17(22(16)21-12)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyXSGNXXZJPUSNOS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.72
Rot. Bonds2

About N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 56553711) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID56553711
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCCCCC3)n2n1
InChIInChI=1S/C17H21N5/c1-12-18-16-14-10-6-7-11-15(14)20-17(22(16)21-12)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyXSGNXXZJPUSNOS-UHFFFAOYSA-N
XLogP3.72
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 56553711) is N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2c3ccccc3nc(NC3CCCCCC3)n2n1.
What is the InChIKey of N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is XSGNXXZJPUSNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-18-16-14-10-6-7-11-15(14)20-17(22(16)21-12)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 295.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 56553711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).