4-(triazol-2-yl)pyrimidine

C6H5N5 — CID 46210360

IUPAC4-(triazol-2-yl)pyrimidine
SMILESc1cc(-n2nccn2)ncn1
InChIInChI=1S/C6H5N5/c1-2-7-5-8-6(1)11-9-3-4-10-11/h1-5H
InChIKeyGJGBONWEAPGIDW-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.06
Rot. Bonds1

About 4-(triazol-2-yl)pyrimidine

4-(triazol-2-yl)pyrimidine (PubChem CID 46210360) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 4-(triazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(triazol-2-yl)pyrimidine
PubChem CID46210360
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name4-(triazol-2-yl)pyrimidine
SMILESc1cc(-n2nccn2)ncn1
InChIInChI=1S/C6H5N5/c1-2-7-5-8-6(1)11-9-3-4-10-11/h1-5H
InChIKeyGJGBONWEAPGIDW-UHFFFAOYSA-N
XLogP0.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrimidin-4-ylpyrrolidine-3,4-diamine
CID 90427993
ethane;propane;4-pyrrolidin-1-ylpyrimidine
CID 156866865
4-(2,4-dibromoimidazol-1-yl)pyrimidine
CID 172993706
4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
CID 79823096
8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 67608519
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306
4-[4-(2-bromoethyl)pyrazol-1-yl]pyrimidine
CID 130540923
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
6-methyl-1-pyrimidin-4-ylindazole
CID 123216048
4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
CID 130949550
2-pyrimidin-4-yl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130820073
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286

Frequently Asked Questions

What is the IUPAC name of 4-(triazol-2-yl)pyrimidine?
The IUPAC name of 4-(triazol-2-yl)pyrimidine (CID 46210360) is 4-(triazol-2-yl)pyrimidine.
What is the SMILES notation for 4-(triazol-2-yl)pyrimidine?
The canonical SMILES for 4-(triazol-2-yl)pyrimidine is c1cc(-n2nccn2)ncn1.
What is the InChIKey of 4-(triazol-2-yl)pyrimidine?
The InChIKey is GJGBONWEAPGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-7-5-8-6(1)11-9-3-4-10-11/h1-5H.
What are the key properties of 4-(triazol-2-yl)pyrimidine?
4-(triazol-2-yl)pyrimidine has a molecular weight of 147.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-2-yl)pyrimidine is sourced from PubChem (CID 46210360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).