4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine

C17H24N4 — CID 65080101

IUPAC4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine
SMILESCc1nc(-c2ccccc2NC2CCCC(C)CC2)n[nH]1
InChIInChI=1S/C17H24N4/c1-12-6-5-7-14(11-10-12)19-16-9-4-3-8-15(16)17-18-13(2)20-21-17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,18,20,21)
InChIKeyAEWGSQQVNGAESG-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.16
Rot. Bonds3

About 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine

4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine (PubChem CID 65080101) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine
PubChem CID65080101
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine
SMILESCc1nc(-c2ccccc2NC2CCCC(C)CC2)n[nH]1
InChIInChI=1S/C17H24N4/c1-12-6-5-7-14(11-10-12)19-16-9-4-3-8-15(16)17-18-13(2)20-21-17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,18,20,21)
InChIKeyAEWGSQQVNGAESG-UHFFFAOYSA-N
XLogP4.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine (CID 65080101) is 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine is Cc1nc(-c2ccccc2NC2CCCC(C)CC2)n[nH]1.
What is the InChIKey of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine?
The InChIKey is AEWGSQQVNGAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-6-5-7-14(11-10-12)19-16-9-4-3-8-15(16)17-18-13(2)20-21-17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,18,20,21).
What are the key properties of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine?
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cycloheptan-1-amine is sourced from PubChem (CID 65080101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).