N-(2,4-dinitrosophenyl)imidazol-1-amine

C9H7N5O2 — CID 88957711

IUPACN-(2,4-dinitrosophenyl)imidazol-1-amine
SMILESO=Nc1ccc(Nn2ccnc2)c(N=O)c1
InChIInChI=1S/C9H7N5O2/c15-12-7-1-2-8(9(5-7)13-16)11-14-4-3-10-6-14/h1-6,11H
InChIKeyKYWDKRPRDGRTCJ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.55
Rot. Bonds4

About N-(2,4-dinitrosophenyl)imidazol-1-amine

N-(2,4-dinitrosophenyl)imidazol-1-amine (PubChem CID 88957711) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(2,4-dinitrosophenyl)imidazol-1-amine.

Molecular Properties

Compound NameN-(2,4-dinitrosophenyl)imidazol-1-amine
PubChem CID88957711
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC NameN-(2,4-dinitrosophenyl)imidazol-1-amine
SMILESO=Nc1ccc(Nn2ccnc2)c(N=O)c1
InChIInChI=1S/C9H7N5O2/c15-12-7-1-2-8(9(5-7)13-16)11-14-4-3-10-6-14/h1-6,11H
InChIKeyKYWDKRPRDGRTCJ-UHFFFAOYSA-N
XLogP2.55
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrosophenyl)imidazol-1-amine?
The IUPAC name of N-(2,4-dinitrosophenyl)imidazol-1-amine (CID 88957711) is N-(2,4-dinitrosophenyl)imidazol-1-amine.
What is the SMILES notation for N-(2,4-dinitrosophenyl)imidazol-1-amine?
The canonical SMILES for N-(2,4-dinitrosophenyl)imidazol-1-amine is O=Nc1ccc(Nn2ccnc2)c(N=O)c1.
What is the InChIKey of N-(2,4-dinitrosophenyl)imidazol-1-amine?
The InChIKey is KYWDKRPRDGRTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c15-12-7-1-2-8(9(5-7)13-16)11-14-4-3-10-6-14/h1-6,11H.
What are the key properties of N-(2,4-dinitrosophenyl)imidazol-1-amine?
N-(2,4-dinitrosophenyl)imidazol-1-amine has a molecular weight of 217.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrosophenyl)imidazol-1-amine is sourced from PubChem (CID 88957711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).