1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol

C14H21N5O — CID 131933993

IUPAC1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CC(C)C)nc1-c1cnccn1
InChIInChI=1S/C14H21N5O/c1-4-11(20)9-19-14(12-8-15-5-6-16-12)17-13(18-19)7-10(2)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3
InChIKeyVNVJOEIFZRKSNX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.70
Rot. Bonds6

About 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol

1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 131933993) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID131933993
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CC(C)C)nc1-c1cnccn1
InChIInChI=1S/C14H21N5O/c1-4-11(20)9-19-14(12-8-15-5-6-16-12)17-13(18-19)7-10(2)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3
InChIKeyVNVJOEIFZRKSNX-UHFFFAOYSA-N
XLogP1.70
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol (CID 131933993) is 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol is CCC(O)Cn1nc(CC(C)C)nc1-c1cnccn1.
What is the InChIKey of 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is VNVJOEIFZRKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-11(20)9-19-14(12-8-15-5-6-16-12)17-13(18-19)7-10(2)3/h5-6,8,10-11,20H,4,7,9H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol?
1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 275.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 131933993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).