(5-amino-1H-pyrazol-4-yl)-trimethylazanium

C6H13N4+ — CID 174760962

IUPAC(5-amino-1H-pyrazol-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cn[nH]c1N
InChIInChI=1S/C6H13N4/c1-10(2,3)5-4-8-9-6(5)7/h4H,1-3H3,(H3,7,8,9)/q+1
InChIKeyWAAPZOMHSFPSRV-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.19
Rot. Bonds1

About (5-amino-1H-pyrazol-4-yl)-trimethylazanium

(5-amino-1H-pyrazol-4-yl)-trimethylazanium (PubChem CID 174760962) has the molecular formula C6H13N4+ and a molecular weight of 141.20 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-trimethylazanium.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-trimethylazanium
PubChem CID174760962
Molecular FormulaC6H13N4+
Molecular Weight141.20 g/mol
Exact Mass141.11
IUPAC Name(5-amino-1H-pyrazol-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cn[nH]c1N
InChIInChI=1S/C6H13N4/c1-10(2,3)5-4-8-9-6(5)7/h4H,1-3H3,(H3,7,8,9)/q+1
InChIKeyWAAPZOMHSFPSRV-UHFFFAOYSA-N
XLogP0.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (5-amino-1H-pyrazol-4-yl)-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-pyrazole-4,5-diamine
CID 10154007
Pyrazole, 4-(diethylamino)-
CID 206680
N,N-Dimethyl-1H-pyrazol-4-amine
CID 13450484
1H-Pyrazole-4,5-diamine--hydrogen chloride (1/2)
CID 21222877
4-isocyano-1H-pyrazol-5-amine
CID 21344679
5-fluoro-N,N-dimethyl-1H-pyrazol-4-amine
CID 167233258
4-[[3-amino-2-(trifluoromethyl)prop-2-enylidene]amino]-1H-pyrazol-5-amine
CID 173976847
Dimethylamino-methyleneaminopyrazole
CID 129794214
(4-diazenyl-1H-pyrazol-5-yl)hydrazine
CID 137126570
4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
CID 114988224
4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
CID 114988924
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine
CID 114992477

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-trimethylazanium?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-trimethylazanium (CID 174760962) is (5-amino-1H-pyrazol-4-yl)-trimethylazanium.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-trimethylazanium?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-trimethylazanium is C[N+](C)(C)c1cn[nH]c1N.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-trimethylazanium?
The InChIKey is WAAPZOMHSFPSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N4/c1-10(2,3)5-4-8-9-6(5)7/h4H,1-3H3,(H3,7,8,9)/q+1.
What are the key properties of (5-amino-1H-pyrazol-4-yl)-trimethylazanium?
(5-amino-1H-pyrazol-4-yl)-trimethylazanium has a molecular weight of 141.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-trimethylazanium is sourced from PubChem (CID 174760962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).