7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine

C13H18N6 — CID 142996686

IUPAC7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCC1=C(Cn2ccnc2)N=CN2NC(C)=NC12
InChIInChI=1S/C13H18N6/c1-3-4-11-12(7-18-6-5-14-8-18)15-9-19-13(11)16-10(2)17-19/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYIBWGUBOBSDPPS-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.54
Rot. Bonds4

About 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine

7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 142996686) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID142996686
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCC1=C(Cn2ccnc2)N=CN2NC(C)=NC12
InChIInChI=1S/C13H18N6/c1-3-4-11-12(7-18-6-5-14-8-18)15-9-19-13(11)16-10(2)17-19/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYIBWGUBOBSDPPS-UHFFFAOYSA-N
XLogP1.54
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethyl-7-[[2-[(3E,5E)-5-fluorohepta-3,5-dien-3-yl]imidazol-1-yl]methyl]-2-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine
CID 142996643
1-[1-[(2-ethyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-2-fluoro-N-[(Z)-pent-2-enyl]ethanimine
CID 142996621
8-(3-Fluoropropyl)-3-methyl-7-[(2-methylimidazol-1-yl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 142996713
(Z)-[2,2,2-trifluoro-1-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]ethylidene]hydrazine
CID 142996742
2-(3-imidazol-1-ylpropyl)-4-methyl-3H-pyridazino[4,5-b]indolizine
CID 20075506
azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine
CID 67181928
azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride
CID 67182312
6-[2-(2-methylimidazol-1-yl)ethyl]-1H-triazine-2,4-diamine
CID 69768430
5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine
CID 70583982
3-Imidazol-1-yl-2-methylcyclopent-2-en-1-amine
CID 117764351
3-(3-Imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine
CID 142854823
N-[5-butyl-6-(imidazol-1-ylmethyl)-4H-pyrimidin-3-yl]-N'-methylcyclohepta-1,4,6-triene-1-carboximidamide;ethane;2-fluoroethanimine;prop-1-ene
CID 142996605

Frequently Asked Questions

What is the IUPAC name of 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine (CID 142996686) is 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine is CCCC1=C(Cn2ccnc2)N=CN2NC(C)=NC12.
What is the InChIKey of 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is YIBWGUBOBSDPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-3-4-11-12(7-18-6-5-14-8-18)15-9-19-13(11)16-10(2)17-19/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine?
7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(imidazol-1-ylmethyl)-2-methyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 142996686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).