N-(propan-2-ylideneamino)-1H-indazol-3-amine

C10H12N4 — CID 13160783

IUPACN-(propan-2-ylideneamino)-1H-indazol-3-amine
SMILESCC(C)=NNc1n[nH]c2ccccc12
InChIInChI=1S/C10H12N4/c1-7(2)11-13-10-8-5-3-4-6-9(8)12-14-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyXZBYYEOASJLALN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.37
Rot. Bonds2

About N-(propan-2-ylideneamino)-1H-indazol-3-amine

N-(propan-2-ylideneamino)-1H-indazol-3-amine (PubChem CID 13160783) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-1H-indazol-3-amine
PubChem CID13160783
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-(propan-2-ylideneamino)-1H-indazol-3-amine
SMILESCC(C)=NNc1n[nH]c2ccccc12
InChIInChI=1S/C10H12N4/c1-7(2)11-13-10-8-5-3-4-6-9(8)12-14-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyXZBYYEOASJLALN-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-1H-indazol-3-amine?
The IUPAC name of N-(propan-2-ylideneamino)-1H-indazol-3-amine (CID 13160783) is N-(propan-2-ylideneamino)-1H-indazol-3-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)-1H-indazol-3-amine?
The canonical SMILES for N-(propan-2-ylideneamino)-1H-indazol-3-amine is CC(C)=NNc1n[nH]c2ccccc12.
What is the InChIKey of N-(propan-2-ylideneamino)-1H-indazol-3-amine?
The InChIKey is XZBYYEOASJLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(2)11-13-10-8-5-3-4-6-9(8)12-14-10/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of N-(propan-2-ylideneamino)-1H-indazol-3-amine?
N-(propan-2-ylideneamino)-1H-indazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-1H-indazol-3-amine is sourced from PubChem (CID 13160783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).