1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine

C18H29N13 — CID 160647908

IUPAC1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine
SMILESCCCn1ncc(/N=N/c2ncc[nH]2)c1N.CCCn1nccc1N.Nc1ncc[nH]1
InChIInChI=1S/C9H13N7.C6H11N3.C3H5N3/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9;1-2-5-9-6(7)3-4-8-9;4-3-5-1-2-6-3/h3-4,6H,2,5,10H2,1H3,(H,11,12);3-4H,2,5,7H2,1H3;1-2H,(H3,4,5,6)/b15-14+;;
InChIKeyRKAMASHFJYOHLO-NSKUCRDLSA-N
MW427.52 g/mol
LogP2.88
Rot. Bonds6

About 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine

1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine (PubChem CID 160647908) has the molecular formula C18H29N13 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine.

Molecular Properties

Compound Name1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine
PubChem CID160647908
Molecular FormulaC18H29N13
Molecular Weight427.52 g/mol
Exact Mass427.27
IUPAC Name1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine
SMILESCCCn1ncc(/N=N/c2ncc[nH]2)c1N.CCCn1nccc1N.Nc1ncc[nH]1
InChIInChI=1S/C9H13N7.C6H11N3.C3H5N3/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9;1-2-5-9-6(7)3-4-8-9;4-3-5-1-2-6-3/h3-4,6H,2,5,10H2,1H3,(H,11,12);3-4H,2,5,7H2,1H3;1-2H,(H3,4,5,6)/b15-14+;;
InChIKeyRKAMASHFJYOHLO-NSKUCRDLSA-N
XLogP2.88
TPSA195.78 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 121225750
1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine
CID 140852027
4-(propylideneamino)butanenitrile;2-propylpyrazol-3-amine
CID 160616970
4-[(2-chlorophenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine chloride
CID 137001237
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
N'-(1H-imidazol-2-yl)ethanimidamide
CID 142107184
(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
CID 136827782
3-(5-aminopyrazol-1-yl)propanoic acid
CID 23005548
2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
CID 114558063
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769510

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine?
The IUPAC name of 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine (CID 160647908) is 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine.
What is the SMILES notation for 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine?
The canonical SMILES for 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine is CCCn1ncc(/N=N/c2ncc[nH]2)c1N.CCCn1nccc1N.Nc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine?
The InChIKey is RKAMASHFJYOHLO-NSKUCRDLSA-N. The full InChI is InChI=1S/C9H13N7.C6H11N3.C3H5N3/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9;1-2-5-9-6(7)3-4-8-9;4-3-5-1-2-6-3/h3-4,6H,2,5,10H2,1H3,(H,11,12);3-4H,2,5,7H2,1H3;1-2H,(H3,4,5,6)/b15-14+;;.
What are the key properties of 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine?
1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine has a molecular weight of 427.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine is sourced from PubChem (CID 160647908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).