N-benzyl-1,2,4-triazin-3-amine

C10H10N4 — CID 69105599

IUPACN-benzyl-1,2,4-triazin-3-amine
SMILESc1ccc(CNc2nccnn2)cc1
InChIInChI=1S/C10H10N4/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-14-10/h1-7H,8H2,(H,11,12,14)
InChIKeyKUFCYFWZGJDOPS-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.48
Rot. Bonds3

About N-benzyl-1,2,4-triazin-3-amine

N-benzyl-1,2,4-triazin-3-amine (PubChem CID 69105599) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is N-benzyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-benzyl-1,2,4-triazin-3-amine
PubChem CID69105599
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC NameN-benzyl-1,2,4-triazin-3-amine
SMILESc1ccc(CNc2nccnn2)cc1
InChIInChI=1S/C10H10N4/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-14-10/h1-7H,8H2,(H,11,12,14)
InChIKeyKUFCYFWZGJDOPS-UHFFFAOYSA-N
XLogP1.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,4-triazin-3-amine?
The IUPAC name of N-benzyl-1,2,4-triazin-3-amine (CID 69105599) is N-benzyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-benzyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-benzyl-1,2,4-triazin-3-amine is c1ccc(CNc2nccnn2)cc1.
What is the InChIKey of N-benzyl-1,2,4-triazin-3-amine?
The InChIKey is KUFCYFWZGJDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-14-10/h1-7H,8H2,(H,11,12,14).
What are the key properties of N-benzyl-1,2,4-triazin-3-amine?
N-benzyl-1,2,4-triazin-3-amine has a molecular weight of 186.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 69105599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).