N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide

C7H13N5 — CID 63177133

IUPACN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nncn1C
InChIInChI=1S/C7H13N5/c1-3-6(8)9-4-7-11-10-5-12(7)2/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyNZTDBNDVYICQPF-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.08
Rot. Bonds3

About N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide

N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide (PubChem CID 63177133) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
PubChem CID63177133
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nncn1C
InChIInChI=1S/C7H13N5/c1-3-6(8)9-4-7-11-10-5-12(7)2/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyNZTDBNDVYICQPF-UHFFFAOYSA-N
XLogP0.08
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 106304244
N'-[(1-methylimidazol-2-yl)methyl]propanimidamide
CID 63293400
1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 111126417
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 111065308
1-(2,6-diethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065272
1-(4-butan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065253
3-(isothiocyanatomethyl)-4-methyl-1,2,4-triazole
CID 62117727
1-ethyl-3-(4-methylpentyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111943751
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111648726
1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172534
1-ethyl-3-(2-ethylhexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111128015

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The IUPAC name of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide (CID 63177133) is N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide.
What is the SMILES notation for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The canonical SMILES for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide is CC/C(N)=N\Cc1nncn1C.
What is the InChIKey of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The InChIKey is NZTDBNDVYICQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-6(8)9-4-7-11-10-5-12(7)2/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide has a molecular weight of 167.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide is sourced from PubChem (CID 63177133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).