2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine

C9H11N5 — CID 58333445

IUPAC2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)c1ncc(-n2cncn2)cn1
InChIInChI=1S/C9H11N5/c1-7(2)9-11-3-8(4-12-9)14-6-10-5-13-14/h3-7H,1-2H3
InChIKeyNPOQUWPMQMGWDW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.18
Rot. Bonds2

About 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine

2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 58333445) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID58333445
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)c1ncc(-n2cncn2)cn1
InChIInChI=1S/C9H11N5/c1-7(2)9-11-3-8(4-12-9)14-6-10-5-13-14/h3-7H,1-2H3
InChIKeyNPOQUWPMQMGWDW-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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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine (CID 58333445) is 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine is CC(C)c1ncc(-n2cncn2)cn1.
What is the InChIKey of 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is NPOQUWPMQMGWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7(2)9-11-3-8(4-12-9)14-6-10-5-13-14/h3-7H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine?
2-propan-2-yl-5-(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 2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 58333445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).