5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine

C15H21N5 — CID 74231025

IUPAC5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine
SMILESCCCc1ncncc1-c1nc(C2CC2)nn1CCC
InChIInChI=1S/C15H21N5/c1-3-5-13-12(9-16-10-17-13)15-18-14(11-6-7-11)19-20(15)8-4-2/h9-11H,3-8H2,1-2H3
InChIKeyCUHNAURADPPOFX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.97
Rot. Bonds6

About 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine

5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine (PubChem CID 74231025) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine.

Molecular Properties

Compound Name5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine
PubChem CID74231025
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine
SMILESCCCc1ncncc1-c1nc(C2CC2)nn1CCC
InChIInChI=1S/C15H21N5/c1-3-5-13-12(9-16-10-17-13)15-18-14(11-6-7-11)19-20(15)8-4-2/h9-11H,3-8H2,1-2H3
InChIKeyCUHNAURADPPOFX-UHFFFAOYSA-N
XLogP2.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine?
The IUPAC name of 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine (CID 74231025) is 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine.
What is the SMILES notation for 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine?
The canonical SMILES for 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine is CCCc1ncncc1-c1nc(C2CC2)nn1CCC.
What is the InChIKey of 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine?
The InChIKey is CUHNAURADPPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-5-13-12(9-16-10-17-13)15-18-14(11-6-7-11)19-20(15)8-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine?
5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-2-propyl-1,2,4-triazol-3-yl)-4-propylpyrimidine is sourced from PubChem (CID 74231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).