azane;1,1,2-triaminoguanidine

CH11N7 — CID 175854701

IUPACazane;1,1,2-triaminoguanidine
SMILESN.NN=C(N)N(N)N
InChIInChI=1S/CH8N6.H3N/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H3
InChIKeyVQFBAMPOTGTHEF-UHFFFAOYSA-N
MW121.15 g/mol
LogP-2.61
Rot. Bonds

About azane;1,1,2-triaminoguanidine

azane;1,1,2-triaminoguanidine (PubChem CID 175854701) has the molecular formula CH11N7 and a molecular weight of 121.15 g/mol. Its IUPAC name is azane;1,1,2-triaminoguanidine.

Molecular Properties

Compound Nameazane;1,1,2-triaminoguanidine
PubChem CID175854701
Molecular FormulaCH11N7
Molecular Weight121.15 g/mol
Exact Mass121.11
IUPAC Nameazane;1,1,2-triaminoguanidine
SMILESN.NN=C(N)N(N)N
InChIInChI=1S/CH8N6.H3N/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H3
InChIKeyVQFBAMPOTGTHEF-UHFFFAOYSA-N
XLogP-2.61
TPSA154.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

1,1,2-triaminoguanidine;hydrochloride
CID 73462575
1,1,2-triaminoguanidine;hydrate
CID 87764587
nitric acid;1,1,2-triaminoguanidine
CID 87083065
2-aminoguanidine;hydrazine
CID 158910954
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
CID 6330480
CID 6330480
2-amino-1-(4-cyanophenyl)-1-methylguanidine
CID 77054083
2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 77054142
2-amino-1-(cyclopropylmethyl)-1-methylguanidine
CID 64868366
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
2-amino-1-(hydroxymethyl)-1-phenylguanidine
CID 141002742

Frequently Asked Questions

What is the IUPAC name of azane;1,1,2-triaminoguanidine?
The IUPAC name of azane;1,1,2-triaminoguanidine (CID 175854701) is azane;1,1,2-triaminoguanidine.
What is the SMILES notation for azane;1,1,2-triaminoguanidine?
The canonical SMILES for azane;1,1,2-triaminoguanidine is N.NN=C(N)N(N)N.
What is the InChIKey of azane;1,1,2-triaminoguanidine?
The InChIKey is VQFBAMPOTGTHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8N6.H3N/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H3.
What are the key properties of azane;1,1,2-triaminoguanidine?
azane;1,1,2-triaminoguanidine has a molecular weight of 121.15 g/mol, XLogP of -2.61, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,2-triaminoguanidine is sourced from PubChem (CID 175854701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).