4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine

C13H14N8 — CID 138053450

IUPAC4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
SMILESCc1nc(C2CN(c3cc(-n4ccnc4)ncn3)C2)n[nH]1
InChIInChI=1S/C13H14N8/c1-9-17-13(19-18-9)10-5-21(6-10)12-4-11(15-7-16-12)20-3-2-14-8-20/h2-4,7-8,10H,5-6H2,1H3,(H,17,18,19)
InChIKeyNNFHTRNFLDRAOT-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.69
Rot. Bonds3

About 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine

4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine (PubChem CID 138053450) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
PubChem CID138053450
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
SMILESCc1nc(C2CN(c3cc(-n4ccnc4)ncn3)C2)n[nH]1
InChIInChI=1S/C13H14N8/c1-9-17-13(19-18-9)10-5-21(6-10)12-4-11(15-7-16-12)20-3-2-14-8-20/h2-4,7-8,10H,5-6H2,1H3,(H,17,18,19)
InChIKeyNNFHTRNFLDRAOT-UHFFFAOYSA-N
XLogP0.69
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
5-bromo-2-methoxy-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
CID 138053454
1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
CID 146106492
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 139013403
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine (CID 138053450) is 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine is Cc1nc(C2CN(c3cc(-n4ccnc4)ncn3)C2)n[nH]1.
What is the InChIKey of 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine?
The InChIKey is NNFHTRNFLDRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-9-17-13(19-18-9)10-5-21(6-10)12-4-11(15-7-16-12)20-3-2-14-8-20/h2-4,7-8,10H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine?
4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine has a molecular weight of 282.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 138053450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).