2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C17H21N5 — CID 56553341

IUPAC2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCC(C)CC3)n2n1
InChIInChI=1S/C17H21N5/c1-11-7-9-13(10-8-11)19-17-20-15-6-4-3-5-14(15)16-18-12(2)21-22(16)17/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyWHOVPYRODSATJI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 56553341) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID56553341
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCC(C)CC3)n2n1
InChIInChI=1S/C17H21N5/c1-11-7-9-13(10-8-11)19-17-20-15-6-4-3-5-14(15)16-18-12(2)21-22(16)17/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyWHOVPYRODSATJI-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 56553341) is 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2c3ccccc3nc(NC3CCC(C)CC3)n2n1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is WHOVPYRODSATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-11-7-9-13(10-8-11)19-17-20-15-6-4-3-5-14(15)16-18-12(2)21-22(16)17/h3-6,11,13H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 295.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 56553341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).