N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide

C6H10N6O — CID 20591092

IUPACN-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N=C(N)N)n(C)n1
InChIInChI=1S/C6H10N6O/c1-3-9-4(12(2)11-3)5(13)10-6(7)8/h1-2H3,(H4,7,8,10,13)
InChIKeyFDKCBABCWRJQBI-UHFFFAOYSA-N
MW182.19 g/mol
LogP-1.46
Rot. Bonds1

About N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide

N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 20591092) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID20591092
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC NameN-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N=C(N)N)n(C)n1
InChIInChI=1S/C6H10N6O/c1-3-9-4(12(2)11-3)5(13)10-6(7)8/h1-2H3,(H4,7,8,10,13)
InChIKeyFDKCBABCWRJQBI-UHFFFAOYSA-N
XLogP-1.46
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
3-bromo-1-(methoxymethyl)-1H-1,2,4-triazole-5-carboxamide
CID 82018847
Lwcuuclcxzuorj-uhfffaoysa-
CID 135697275
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 20591092) is N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N=C(N)N)n(C)n1.
What is the InChIKey of N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FDKCBABCWRJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-3-9-4(12(2)11-3)5(13)10-6(7)8/h1-2H3,(H4,7,8,10,13).
What are the key properties of N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 182.19 g/mol, XLogP of -1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 20591092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).