6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine

C15H13ClN6 — CID 151910696

IUPAC6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine
SMILESNCc1cc(Cl)cc(-c2nnc(N)nc2-c2ccccn2)c1
InChIInChI=1S/C15H13ClN6/c16-11-6-9(8-17)5-10(7-11)13-14(20-15(18)22-21-13)12-3-1-2-4-19-12/h1-7H,8,17H2,(H2,18,20,22)
InChIKeySURYRGJNTXDMIW-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.29
Rot. Bonds3

About 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine

6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine (PubChem CID 151910696) has the molecular formula C15H13ClN6 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine
PubChem CID151910696
Molecular FormulaC15H13ClN6
Molecular Weight312.76 g/mol
Exact Mass312.09
IUPAC Name6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine
SMILESNCc1cc(Cl)cc(-c2nnc(N)nc2-c2ccccn2)c1
InChIInChI=1S/C15H13ClN6/c16-11-6-9(8-17)5-10(7-11)13-14(20-15(18)22-21-13)12-3-1-2-4-19-12/h1-7H,8,17H2,(H2,18,20,22)
InChIKeySURYRGJNTXDMIW-UHFFFAOYSA-N
XLogP2.29
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine (CID 151910696) is 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine is NCc1cc(Cl)cc(-c2nnc(N)nc2-c2ccccn2)c1.
What is the InChIKey of 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine?
The InChIKey is SURYRGJNTXDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6/c16-11-6-9(8-17)5-10(7-11)13-14(20-15(18)22-21-13)12-3-1-2-4-19-12/h1-7H,8,17H2,(H2,18,20,22).
What are the key properties of 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine?
6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine has a molecular weight of 312.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-5-chlorophenyl]-5-pyridin-2-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 151910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).