N'-methyl-1H-1,2,4-triazole-5-carboximidamide

C4H7N5 — CID 135965193

IUPACN'-methyl-1H-1,2,4-triazole-5-carboximidamide
SMILESC/N=C(\N)c1ncn[nH]1
InChIInChI=1S/C4H7N5/c1-6-3(5)4-7-2-8-9-4/h2H,1H3,(H2,5,6)(H,7,8,9)
InChIKeyDLJPXOURMAVMGX-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.86
Rot. Bonds1

About N'-methyl-1H-1,2,4-triazole-5-carboximidamide

N'-methyl-1H-1,2,4-triazole-5-carboximidamide (PubChem CID 135965193) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is N'-methyl-1H-1,2,4-triazole-5-carboximidamide.

Molecular Properties

Compound NameN'-methyl-1H-1,2,4-triazole-5-carboximidamide
PubChem CID135965193
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC NameN'-methyl-1H-1,2,4-triazole-5-carboximidamide
SMILESC/N=C(\N)c1ncn[nH]1
InChIInChI=1S/C4H7N5/c1-6-3(5)4-7-2-8-9-4/h2H,1H3,(H2,5,6)(H,7,8,9)
InChIKeyDLJPXOURMAVMGX-UHFFFAOYSA-N
XLogP-0.86
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
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'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965177
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
2-methyl-1-(1H-1,2,4-triazol-5-yl)guanidine
CID 146336368
3-methylidene-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 66043842
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
3-methyl-1-(1H-1,2,4-triazol-5-yl)but-3-en-1-one
CID 79177579
N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
CID 163908268
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1H-1,2,4-triazole-5-carboximidamide?
The IUPAC name of N'-methyl-1H-1,2,4-triazole-5-carboximidamide (CID 135965193) is N'-methyl-1H-1,2,4-triazole-5-carboximidamide.
What is the SMILES notation for N'-methyl-1H-1,2,4-triazole-5-carboximidamide?
The canonical SMILES for N'-methyl-1H-1,2,4-triazole-5-carboximidamide is C/N=C(\N)c1ncn[nH]1.
What is the InChIKey of N'-methyl-1H-1,2,4-triazole-5-carboximidamide?
The InChIKey is DLJPXOURMAVMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c1-6-3(5)4-7-2-8-9-4/h2H,1H3,(H2,5,6)(H,7,8,9).
What are the key properties of N'-methyl-1H-1,2,4-triazole-5-carboximidamide?
N'-methyl-1H-1,2,4-triazole-5-carboximidamide has a molecular weight of 125.13 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1H-1,2,4-triazole-5-carboximidamide is sourced from PubChem (CID 135965193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).