[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride

C10H12ClN5 — CID 118239091

IUPAC[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
SMILESCc1nnc(-c2ccc(CN)cc2)nn1.Cl
InChIInChI=1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H
InChIKeyNIGOLWATPZTKQT-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.12
Rot. Bonds2

About [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride

[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride (PubChem CID 118239091) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
PubChem CID118239091
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
SMILESCc1nnc(-c2ccc(CN)cc2)nn1.Cl
InChIInChI=1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H
InChIKeyNIGOLWATPZTKQT-UHFFFAOYSA-N
XLogP1.12
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride (CID 118239091) is [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride is Cc1nnc(-c2ccc(CN)cc2)nn1.Cl.
What is the InChIKey of [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride?
The InChIKey is NIGOLWATPZTKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H.
What are the key properties of [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride?
[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 118239091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).