N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide

C6H9N7O2 — CID 3810275

IUPACN'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(N)Cn1cncn1
InChIInChI=1S/C6H9N7O2/c7-4(1-13-3-9-2-10-13)11-12-6(15)5(8)14/h2-3H,1H2,(H2,7,11)(H2,8,14)(H,12,15)
InChIKeyJCPSSMPGQJNCKC-UHFFFAOYSA-N
MW211.19 g/mol
LogP-2.85
Rot. Bonds3

About N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide

N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide (PubChem CID 3810275) has the molecular formula C6H9N7O2 and a molecular weight of 211.19 g/mol. Its IUPAC name is N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide
PubChem CID3810275
Molecular FormulaC6H9N7O2
Molecular Weight211.19 g/mol
Exact Mass211.08
IUPAC NameN'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(N)Cn1cncn1
InChIInChI=1S/C6H9N7O2/c7-4(1-13-3-9-2-10-13)11-12-6(15)5(8)14/h2-3H,1H2,(H2,7,11)(H2,8,14)(H,12,15)
InChIKeyJCPSSMPGQJNCKC-UHFFFAOYSA-N
XLogP-2.85
TPSA141.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-2.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-N-[3-(aminomethyl)-4H-1,2,4-triazol-4-YL]acetamide
CID 52903764
2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 2766534
2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2764817
2-(5-Methyl-1,2,4-triazol-1-yl)acetamide
CID 139386076
2-(3-Methyl-1,2,4-triazol-1-yl)acetamide
CID 156376815
N-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2-cyanoacetamide
CID 2766520
[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
CID 3820835
1-{N'-[(1Z)-1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]hydrazinecarbonyl}formamide
CID 5929042
2-(3-amino-1H-1,2,4-triazol-1-yl)acetohydrazide
CID 7017683
[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]-[(2-cyanoacetyl)amino]azanium
CID 7081781
2-cyano-N'-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]acetohydrazide
CID 9581751
(Z)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
CID 16413232

Frequently Asked Questions

What is the IUPAC name of N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide?
The IUPAC name of N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide (CID 3810275) is N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide.
What is the SMILES notation for N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide?
The canonical SMILES for N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide is NC(=O)C(=O)NN=C(N)Cn1cncn1.
What is the InChIKey of N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide?
The InChIKey is JCPSSMPGQJNCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7O2/c7-4(1-13-3-9-2-10-13)11-12-6(15)5(8)14/h2-3H,1H2,(H2,7,11)(H2,8,14)(H,12,15).
What are the key properties of N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide?
N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide has a molecular weight of 211.19 g/mol, XLogP of -2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide is sourced from PubChem (CID 3810275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).