4-propyl-4H-imidazole-2,5-diamine

C6H12N4 — CID 12745216

IUPAC4-propyl-4H-imidazole-2,5-diamine
SMILESCCCC1N=C(N)N=C1N
InChIInChI=1S/C6H12N4/c1-2-3-4-5(7)10-6(8)9-4/h4H,2-3H2,1H3,(H4,7,8,9,10)
InChIKeyMTGRBIGVVBJLSB-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.16
Rot. Bonds2

About 4-propyl-4H-imidazole-2,5-diamine

4-propyl-4H-imidazole-2,5-diamine (PubChem CID 12745216) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-propyl-4H-imidazole-2,5-diamine.

Molecular Properties

Compound Name4-propyl-4H-imidazole-2,5-diamine
PubChem CID12745216
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name4-propyl-4H-imidazole-2,5-diamine
SMILESCCCC1N=C(N)N=C1N
InChIInChI=1S/C6H12N4/c1-2-3-4-5(7)10-6(8)9-4/h4H,2-3H2,1H3,(H4,7,8,9,10)
InChIKeyMTGRBIGVVBJLSB-UHFFFAOYSA-N
XLogP-0.16
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-4H-imidazole-2,5-diamine?
The IUPAC name of 4-propyl-4H-imidazole-2,5-diamine (CID 12745216) is 4-propyl-4H-imidazole-2,5-diamine.
What is the SMILES notation for 4-propyl-4H-imidazole-2,5-diamine?
The canonical SMILES for 4-propyl-4H-imidazole-2,5-diamine is CCCC1N=C(N)N=C1N.
What is the InChIKey of 4-propyl-4H-imidazole-2,5-diamine?
The InChIKey is MTGRBIGVVBJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-3-4-5(7)10-6(8)9-4/h4H,2-3H2,1H3,(H4,7,8,9,10).
What are the key properties of 4-propyl-4H-imidazole-2,5-diamine?
4-propyl-4H-imidazole-2,5-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4H-imidazole-2,5-diamine is sourced from PubChem (CID 12745216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).