(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol

C8H15N3O — CID 58204412

IUPAC(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCCn1nc(CO)nc1C(C)C
InChIInChI=1S/C8H15N3O/c1-4-11-8(6(2)3)9-7(5-12)10-11/h6,12H,4-5H2,1-3H3
InChIKeyBONHNJZGWSCTCF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.91
Rot. Bonds3

About (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol

(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 58204412) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
PubChem CID58204412
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCCn1nc(CO)nc1C(C)C
InChIInChI=1S/C8H15N3O/c1-4-11-8(6(2)3)9-7(5-12)10-11/h6,12H,4-5H2,1-3H3
InChIKeyBONHNJZGWSCTCF-UHFFFAOYSA-N
XLogP0.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72895454
2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97444804
(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol (CID 58204412) is (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol is CCn1nc(CO)nc1C(C)C.
What is the InChIKey of (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is BONHNJZGWSCTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-11-8(6(2)3)9-7(5-12)10-11/h6,12H,4-5H2,1-3H3.
What are the key properties of (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
(1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 169.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 58204412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).