(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol

C13H23N3O — CID 82995597

IUPAC(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
SMILESCCCC(CCC)c1nnc(CO)n1C1CC1
InChIInChI=1S/C13H23N3O/c1-3-5-10(6-4-2)13-15-14-12(9-17)16(13)11-7-8-11/h10-11,17H,3-9H2,1-2H3
InChIKeyVNTLNKOSWHDVIN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.79
Rot. Bonds7

About (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol

(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 82995597) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
PubChem CID82995597
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
SMILESCCCC(CCC)c1nnc(CO)n1C1CC1
InChIInChI=1S/C13H23N3O/c1-3-5-10(6-4-2)13-15-14-12(9-17)16(13)11-7-8-11/h10-11,17H,3-9H2,1-2H3
InChIKeyVNTLNKOSWHDVIN-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol (CID 82995597) is (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol is CCCC(CCC)c1nnc(CO)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is VNTLNKOSWHDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-10(6-4-2)13-15-14-12(9-17)16(13)11-7-8-11/h10-11,17H,3-9H2,1-2H3.
What are the key properties of (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol?
(4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 237.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 82995597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).