4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole

C15H14FN5 — CID 172843445

IUPAC4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2-c2cn(CC3CC3)cn2)cc1
InChIInChI=1S/C15H14FN5/c16-12-5-3-11(4-6-12)14-15(19-20-18-14)13-8-21(9-17-13)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H,18,19,20)
InChIKeyXCIHXBSRAJLKLQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.88
Rot. Bonds4

About 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole

4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole (PubChem CID 172843445) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
PubChem CID172843445
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2-c2cn(CC3CC3)cn2)cc1
InChIInChI=1S/C15H14FN5/c16-12-5-3-11(4-6-12)14-15(19-20-18-14)13-8-21(9-17-13)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H,18,19,20)
InChIKeyXCIHXBSRAJLKLQ-UHFFFAOYSA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole (CID 172843445) is 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole is Fc1ccc(-c2n[nH]nc2-c2cn(CC3CC3)cn2)cc1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
The InChIKey is XCIHXBSRAJLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-12-5-3-11(4-6-12)14-15(19-20-18-14)13-8-21(9-17-13)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H,18,19,20).
What are the key properties of 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole?
4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole has a molecular weight of 283.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole is sourced from PubChem (CID 172843445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).