4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

C9H14N6 — CID 66131156

IUPAC4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cncc1-c1ncn(N)c1N
InChIInChI=1S/C9H14N6/c1-2-3-14-5-12-4-7(14)8-9(10)15(11)6-13-8/h4-6H,2-3,10-11H2,1H3
InChIKeyCAZCSXPAHXIRQU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.45
Rot. Bonds3

About 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (PubChem CID 66131156) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
PubChem CID66131156
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cncc1-c1ncn(N)c1N
InChIInChI=1S/C9H14N6/c1-2-3-14-5-12-4-7(14)8-9(10)15(11)6-13-8/h4-6H,2-3,10-11H2,1H3
InChIKeyCAZCSXPAHXIRQU-UHFFFAOYSA-N
XLogP0.45
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131753
2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131553
8-bromo-2-(3-propylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 66131564
2-cyclohexyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66132148
2-methyl-3-(2-methylpropyl)-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130350
2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130948
3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
2-cyclopentyl-3-ethyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129956
2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine
CID 66129756
[2-(3-propylimidazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 66139508
2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66131946
3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine
CID 66161913

Frequently Asked Questions

What is the IUPAC name of 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The IUPAC name of 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (CID 66131156) is 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The canonical SMILES for 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is CCCn1cncc1-c1ncn(N)c1N.
What is the InChIKey of 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The InChIKey is CAZCSXPAHXIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-3-14-5-12-4-7(14)8-9(10)15(11)6-13-8/h4-6H,2-3,10-11H2,1H3.
What are the key properties of 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is sourced from PubChem (CID 66131156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).