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

C11H15N5 — CID 15307832

IUPAC3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(CCCn2ccnc2)nc1C
InChIInChI=1S/C11H15N5/c1-9-10(2)14-15-11(13-9)4-3-6-16-7-5-12-8-16/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGHHUQKHXFDAZPG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.32
Rot. Bonds4

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

3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine (PubChem CID 15307832) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine
PubChem CID15307832
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(CCCn2ccnc2)nc1C
InChIInChI=1S/C11H15N5/c1-9-10(2)14-15-11(13-9)4-3-6-16-7-5-12-8-16/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGHHUQKHXFDAZPG-UHFFFAOYSA-N
XLogP1.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methylthiophen-3-yl)propyl]imidazole
CID 67658742
3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
CID 11346121
2-(3-imidazol-1-ylpropyl)-3-methylbenzene-1,4-diamine
CID 137462166
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
sodium;1-butylimidazole;bromide
CID 175480877
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544
2-[2-(3-imidazol-1-ylpropylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 61494530
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284258

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine (CID 15307832) is 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine is Cc1nnc(CCCn2ccnc2)nc1C.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine?
The InChIKey is GHHUQKHXFDAZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-10(2)14-15-11(13-9)4-3-6-16-7-5-12-8-16/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine?
3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine has a molecular weight of 217.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 15307832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).