5-methyl-4-nitroso-1H-imidazol-2-amine

C4H6N4O — CID 13012264

IUPAC5-methyl-4-nitroso-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1N=O
InChIInChI=1S/C4H6N4O/c1-2-3(8-9)7-4(5)6-2/h1H3,(H3,5,6,7)
InChIKeyQRKKOIGWKBZDST-UHFFFAOYSA-N
MW126.12 g/mol
LogP0.70
Rot. Bonds1

About 5-methyl-4-nitroso-1H-imidazol-2-amine

5-methyl-4-nitroso-1H-imidazol-2-amine (PubChem CID 13012264) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 5-methyl-4-nitroso-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitroso-1H-imidazol-2-amine
PubChem CID13012264
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name5-methyl-4-nitroso-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1N=O
InChIInChI=1S/C4H6N4O/c1-2-3(8-9)7-4(5)6-2/h1H3,(H3,5,6,7)
InChIKeyQRKKOIGWKBZDST-UHFFFAOYSA-N
XLogP0.70
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-4-nitroso-1H-imidazol-2-amine (CID 13012264) is 5-methyl-4-nitroso-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-4-nitroso-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-4-nitroso-1H-imidazol-2-amine is Cc1[nH]c(N)nc1N=O.
What is the InChIKey of 5-methyl-4-nitroso-1H-imidazol-2-amine?
The InChIKey is QRKKOIGWKBZDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-2-3(8-9)7-4(5)6-2/h1H3,(H3,5,6,7).
What are the key properties of 5-methyl-4-nitroso-1H-imidazol-2-amine?
5-methyl-4-nitroso-1H-imidazol-2-amine has a molecular weight of 126.12 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-1H-imidazol-2-amine is sourced from PubChem (CID 13012264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).