1,5-diaminoimidazole-4-carbonitrile

C4H5N5 — CID 15658379

IUPAC1,5-diaminoimidazole-4-carbonitrile
SMILESN#Cc1ncn(N)c1N
InChIInChI=1S/C4H5N5/c5-1-3-4(6)9(7)2-8-3/h2H,6-7H2
InChIKeyICCPRBNZPFLELO-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.95
Rot. Bonds

About 1,5-diaminoimidazole-4-carbonitrile

1,5-diaminoimidazole-4-carbonitrile (PubChem CID 15658379) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 1,5-diaminoimidazole-4-carbonitrile.

Molecular Properties

Compound Name1,5-diaminoimidazole-4-carbonitrile
PubChem CID15658379
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name1,5-diaminoimidazole-4-carbonitrile
SMILESN#Cc1ncn(N)c1N
InChIInChI=1S/C4H5N5/c5-1-3-4(6)9(7)2-8-3/h2H,6-7H2
InChIKeyICCPRBNZPFLELO-UHFFFAOYSA-N
XLogP-0.95
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaminoimidazole-4-carbonitrile?
The IUPAC name of 1,5-diaminoimidazole-4-carbonitrile (CID 15658379) is 1,5-diaminoimidazole-4-carbonitrile.
What is the SMILES notation for 1,5-diaminoimidazole-4-carbonitrile?
The canonical SMILES for 1,5-diaminoimidazole-4-carbonitrile is N#Cc1ncn(N)c1N.
What is the InChIKey of 1,5-diaminoimidazole-4-carbonitrile?
The InChIKey is ICCPRBNZPFLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-1-3-4(6)9(7)2-8-3/h2H,6-7H2.
What are the key properties of 1,5-diaminoimidazole-4-carbonitrile?
1,5-diaminoimidazole-4-carbonitrile has a molecular weight of 123.12 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminoimidazole-4-carbonitrile is sourced from PubChem (CID 15658379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).