N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide

C5H12N6O — CID 91219143

IUPACN-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide
SMILESCC(=O)/N=C(/C(N)=NN)N(C)N
InChIInChI=1S/C5H12N6O/c1-3(12)9-5(11(2)8)4(6)10-7/h7-8H2,1-2H3,(H2,6,10)/b9-5-
InChIKeyOXTKQVUYUWTKGH-UITAMQMPSA-N
MW172.19 g/mol
LogP-2.03
Rot. Bonds

About N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide

N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide (PubChem CID 91219143) has the molecular formula C5H12N6O and a molecular weight of 172.19 g/mol. Its IUPAC name is N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide.

Molecular Properties

Compound NameN-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide
PubChem CID91219143
Molecular FormulaC5H12N6O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC NameN-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide
SMILESCC(=O)/N=C(/C(N)=NN)N(C)N
InChIInChI=1S/C5H12N6O/c1-3(12)9-5(11(2)8)4(6)10-7/h7-8H2,1-2H3,(H2,6,10)/b9-5-
InChIKeyOXTKQVUYUWTKGH-UITAMQMPSA-N
XLogP-2.03
TPSA123.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

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1-hydrazinylideneethanesulfinic acid
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acetamide
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azane;N,N-dimethylacetamide
CID 161145572
2-aminoguanidine;urea
CID 87270498
(3E)-3-hydrazinylidenebutan-2-one
CID 11137106
N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
CID 144985407
1-methyl-1-nitrosourea;nitrous amide
CID 87568751

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide?
The IUPAC name of N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide (CID 91219143) is N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide.
What is the SMILES notation for N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide?
The canonical SMILES for N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide is CC(=O)/N=C(/C(N)=NN)N(C)N.
What is the InChIKey of N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide?
The InChIKey is OXTKQVUYUWTKGH-UITAMQMPSA-N. The full InChI is InChI=1S/C5H12N6O/c1-3(12)9-5(11(2)8)4(6)10-7/h7-8H2,1-2H3,(H2,6,10)/b9-5-.
What are the key properties of N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide?
N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide has a molecular weight of 172.19 g/mol, XLogP of -2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-[amino(methyl)amino]-2-hydrazinylideneethylidene]acetamide is sourced from PubChem (CID 91219143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).