(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

C12H15N3O — CID 116543622

IUPAC(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCCc1cccc(C(O)c2ncn[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-2-4-9-5-3-6-10(7-9)11(16)12-13-8-14-15-12/h3,5-8,11,16H,2,4H2,1H3,(H,13,14,15)
InChIKeyLULNAUDDNNZQFQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds4

About (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 116543622) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID116543622
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCCc1cccc(C(O)c2ncn[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-2-4-9-5-3-6-10(7-9)11(16)12-13-8-14-15-12/h3,5-8,11,16H,2,4H2,1H3,(H,13,14,15)
InChIKeyLULNAUDDNNZQFQ-UHFFFAOYSA-N
XLogP1.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(2-methyl-1,3-oxazol-4-yl)-(3-propylphenyl)methanol
CID 114282576
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (CID 116543622) is (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is CCCc1cccc(C(O)c2ncn[nH]2)c1.
What is the InChIKey of (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is LULNAUDDNNZQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-4-9-5-3-6-10(7-9)11(16)12-13-8-14-15-12/h3,5-8,11,16H,2,4H2,1H3,(H,13,14,15).
What are the key properties of (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 217.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 116543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).