N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine

C9H12N6 — CID 106895919

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCn1cnnc1CNCc1cccnn1
InChIInChI=1S/C9H12N6/c1-15-7-12-14-9(15)6-10-5-8-3-2-4-11-13-8/h2-4,7,10H,5-6H2,1H3
InChIKeyRVRAGQRFARGXJA-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.11
Rot. Bonds4

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895919) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895919
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCn1cnnc1CNCc1cccnn1
InChIInChI=1S/C9H12N6/c1-15-7-12-14-9(15)6-10-5-8-3-2-4-11-13-8/h2-4,7,10H,5-6H2,1H3
InChIKeyRVRAGQRFARGXJA-UHFFFAOYSA-N
XLogP-0.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895595
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895860
1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 81325855
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
1-(3-methyl-4-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 114699789
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-phenylphenyl)methanamine
CID 47059707
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66412559
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62118264
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]but-2-yn-1-amine
CID 62310554

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106895919) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine is Cn1cnnc1CNCc1cccnn1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is RVRAGQRFARGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-15-7-12-14-9(15)6-10-5-8-3-2-4-11-13-8/h2-4,7,10H,5-6H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 204.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).