6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C9H13N7 — CID 22022641

IUPAC6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(c1nc(N)nc(N)n1)n1ccnc1
InChIInChI=1S/C9H13N7/c1-2-6(16-4-3-12-5-16)7-13-8(10)15-9(11)14-7/h3-6H,2H2,1H3,(H4,10,11,13,14,15)
InChIKeyIGMZSEHMQVQZEE-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.23
Rot. Bonds3

About 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine

6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22022641) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID22022641
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(c1nc(N)nc(N)n1)n1ccnc1
InChIInChI=1S/C9H13N7/c1-2-6(16-4-3-12-5-16)7-13-8(10)15-9(11)14-7/h3-6H,2H2,1H3,(H4,10,11,13,14,15)
InChIKeyIGMZSEHMQVQZEE-UHFFFAOYSA-N
XLogP0.23
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 69327704
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
1-[chloro(ethylsulfanyl)methyl]imidazole;hydrochloride
CID 67670241
1-[1-[5-(4-methoxyphenyl)furan-2-yl]propyl]imidazole
CID 71548090
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
5-(1-imidazol-1-ylpropyl)-2-phenylpyridine
CID 57329941
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-hexan-3-ylimidazole
CID 54145075
1-[1-(2-pentacosan-11-ylphenyl)propyl]imidazole
CID 69391423
1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole
CID 69390976
1-[1-[2-[(8S)-henicosan-8-yl]phenyl]propyl]imidazole
CID 69398606

Frequently Asked Questions

What is the IUPAC name of 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 22022641) is 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CCC(c1nc(N)nc(N)n1)n1ccnc1.
What is the InChIKey of 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IGMZSEHMQVQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-6(16-4-3-12-5-16)7-13-8(10)15-9(11)14-7/h3-6H,2H2,1H3,(H4,10,11,13,14,15).
What are the key properties of 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22022641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).