5-methyl-1H-imidazole-2,4-diamine

C4H8N4 — CID 18959001

IUPAC5-methyl-1H-imidazole-2,4-diamine
SMILESCc1[nH]c(N)nc1N
InChIInChI=1S/C4H8N4/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H3,6,7,8)
InChIKeyRAILXWOBMGLOMI-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.12
Rot. Bonds

About 5-methyl-1H-imidazole-2,4-diamine

5-methyl-1H-imidazole-2,4-diamine (PubChem CID 18959001) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 5-methyl-1H-imidazole-2,4-diamine.

Molecular Properties

Compound Name5-methyl-1H-imidazole-2,4-diamine
PubChem CID18959001
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name5-methyl-1H-imidazole-2,4-diamine
SMILESCc1[nH]c(N)nc1N
InChIInChI=1S/C4H8N4/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H3,6,7,8)
InChIKeyRAILXWOBMGLOMI-UHFFFAOYSA-N
XLogP-0.12
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-1H-imidazole-4,5-dicarbonitrile
CID 5260591
2-ethyl-1H-imidazole-4,5-dicarbonitrile
CID 5260593
4,5-Dimethyl-1H-imidazole
CID 75306
2,4,5-Trimethylimidazole
CID 69976
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
4,4',5,5'-Tetramethyl-2,2'-bisimidazole
CID 96790
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
2-bromo-4,5-dimethyl-1H-imidazole
CID 20156507
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
4,5-Dimethyl-1H-imidazole hydrochloride
CID 15556999
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
AC1Mskt9
CID 3560854

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole-2,4-diamine?
The IUPAC name of 5-methyl-1H-imidazole-2,4-diamine (CID 18959001) is 5-methyl-1H-imidazole-2,4-diamine.
What is the SMILES notation for 5-methyl-1H-imidazole-2,4-diamine?
The canonical SMILES for 5-methyl-1H-imidazole-2,4-diamine is Cc1[nH]c(N)nc1N.
What is the InChIKey of 5-methyl-1H-imidazole-2,4-diamine?
The InChIKey is RAILXWOBMGLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H3,6,7,8).
What are the key properties of 5-methyl-1H-imidazole-2,4-diamine?
5-methyl-1H-imidazole-2,4-diamine has a molecular weight of 112.14 g/mol, XLogP of -0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole-2,4-diamine is sourced from PubChem (CID 18959001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).