4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine

C9H11N5 — CID 59333372

IUPAC4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)c1cc(-n2cncn2)ncn1
InChIInChI=1S/C9H11N5/c1-7(2)8-3-9(12-5-11-8)14-6-10-4-13-14/h3-7H,1-2H3
InChIKeyCRYAGOYRCKIDOO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.18
Rot. Bonds2

About 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine

4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 59333372) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID59333372
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)c1cc(-n2cncn2)ncn1
InChIInChI=1S/C9H11N5/c1-7(2)8-3-9(12-5-11-8)14-6-10-4-13-14/h3-7H,1-2H3
InChIKeyCRYAGOYRCKIDOO-UHFFFAOYSA-N
XLogP1.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,2,4-triazol-1-yl)pyrimidine-4-carbothialdehyde
CID 19023654
N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941765
4-[1-(6-propan-2-ylpyrimidin-4-yl)pyrazol-4-yl]aniline
CID 63327879
N-cyclopropyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941701
2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
CID 58333445
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 144865603
4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxyaniline
CID 58917217
N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941768
N-[[5-chloro-2-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927325
5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
CID 114921142
N-(4-propan-2-ylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600321
4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 123757404

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine (CID 59333372) is 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine is CC(C)c1cc(-n2cncn2)ncn1.
What is the InChIKey of 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is CRYAGOYRCKIDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7(2)8-3-9(12-5-11-8)14-6-10-4-13-14/h3-7H,1-2H3.
What are the key properties of 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine?
4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 59333372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).