2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine

C4H8N6 — CID 146336368

IUPAC2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine
SMILESC/N=C(\N)Nc1ncn[nH]1
InChIInChI=1S/C4H8N6/c1-6-3(5)9-4-7-2-8-10-4/h2H,1H3,(H4,5,6,7,8,9,10)
InChIKeyKBBJXBRAZCEHKP-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.84
Rot. Bonds1

About 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine

2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine (PubChem CID 146336368) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine
PubChem CID146336368
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine
SMILESC/N=C(\N)Nc1ncn[nH]1
InChIInChI=1S/C4H8N6/c1-6-3(5)9-4-7-2-8-10-4/h2H,1H3,(H4,5,6,7,8,9,10)
InChIKeyKBBJXBRAZCEHKP-UHFFFAOYSA-N
XLogP-0.84
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
cis-(1S,3R)-2,2-dimethyl-3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 95391108
N-(1H-1,2,4-triazol-5-yl)but-2-enamide
CID 76981365
2-bromo-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 82110523
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
(E)-2,3-dimethyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 122235567
2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 115589055
1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-ylcarbamoylamino)phenyl]urea
CID 4577270
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
N-ethyl-1H-1,2,4-triazol-5-amine
CID 55284153
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
(E)-3-methyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 82335526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine?
The IUPAC name of 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine (CID 146336368) is 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine?
The canonical SMILES for 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine is C/N=C(\N)Nc1ncn[nH]1.
What is the InChIKey of 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine?
The InChIKey is KBBJXBRAZCEHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c1-6-3(5)9-4-7-2-8-10-4/h2H,1H3,(H4,5,6,7,8,9,10).
What are the key properties of 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine?
2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine has a molecular weight of 140.15 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine is sourced from PubChem (CID 146336368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).