N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine

C15H16N4 — CID 112596426

IUPACN,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(Cc2ccc3ccccc3c2)n1C
InChIInChI=1S/C15H16N4/c1-16-15-18-17-14(19(15)2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyPPGGKRPLMVQHDC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.60
Rot. Bonds3

About N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 112596426) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID112596426
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(Cc2ccc3ccccc3c2)n1C
InChIInChI=1S/C15H16N4/c1-16-15-18-17-14(19(15)2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyPPGGKRPLMVQHDC-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine (CID 112596426) is N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine is CNc1nnc(Cc2ccc3ccccc3c2)n1C.
What is the InChIKey of N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is PPGGKRPLMVQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-16-15-18-17-14(19(15)2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H,16,18).
What are the key properties of N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).