N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

C15H15N5 — CID 75435629

IUPACN-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnnc1-c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C15H15N5/c1-20-11-18-19-15(20)13-7-8-16-14(9-13)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,16,17)
InChIKeyQNJLBHAJSLODMJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.49
Rot. Bonds4

About N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 75435629) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID75435629
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnnc1-c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C15H15N5/c1-20-11-18-19-15(20)13-7-8-16-14(9-13)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,16,17)
InChIKeyQNJLBHAJSLODMJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 75435629) is N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is Cn1cnnc1-c1ccnc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is QNJLBHAJSLODMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-20-11-18-19-15(20)13-7-8-16-14(9-13)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,16,17).
What are the key properties of N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 75435629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).