[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine

C14H12N4O — CID 88853431

IUPAC[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ccc3[nH]ncc3c2N=O)cc1
InChIInChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)11-5-6-13-12(8-16-17-13)14(11)18-19/h1-6,8H,7,15H2,(H,16,17)
InChIKeyDORTZDLKNKGKCU-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.09
Rot. Bonds3

About [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine

[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine (PubChem CID 88853431) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine
PubChem CID88853431
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ccc3[nH]ncc3c2N=O)cc1
InChIInChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)11-5-6-13-12(8-16-17-13)14(11)18-19/h1-6,8H,7,15H2,(H,16,17)
InChIKeyDORTZDLKNKGKCU-UHFFFAOYSA-N
XLogP3.09
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
CID 11243390
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
CID 11173952
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
CID 23134486
5-(4-methyl-1H-indazol-5-yl)-1H-indazol-3-amine
CID 142763266
5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
CID 151842688
1H-indazol-4-amine;dihydrochloride
CID 18779330
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
(4-nitroso-1H-pyrazol-5-yl)methanamine
CID 87795709
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
(4-methyl-1H-indazol-5-yl)methanol
CID 170907385

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine (CID 88853431) is [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine is NCc1ccc(-c2ccc3[nH]ncc3c2N=O)cc1.
What is the InChIKey of [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine?
The InChIKey is DORTZDLKNKGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)11-5-6-13-12(8-16-17-13)14(11)18-19/h1-6,8H,7,15H2,(H,16,17).
What are the key properties of [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine?
[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine has a molecular weight of 252.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 88853431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).