[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C13H25N3O2 — CID 82995518

IUPAC[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCCC(CCC)c1nnc(CO)n1CCOC
InChIInChI=1S/C13H25N3O2/c1-4-6-11(7-5-2)13-15-14-12(10-17)16(13)8-9-18-3/h11,17H,4-10H2,1-3H3
InChIKeyAZPGFLVQRKBWHF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.10
Rot. Bonds9

About [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 82995518) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID82995518
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCCC(CCC)c1nnc(CO)n1CCOC
InChIInChI=1S/C13H25N3O2/c1-4-6-11(7-5-2)13-15-14-12(10-17)16(13)8-9-18-3/h11,17H,4-10H2,1-3H3
InChIKeyAZPGFLVQRKBWHF-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 82995518) is [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is CCCC(CCC)c1nnc(CO)n1CCOC.
What is the InChIKey of [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is AZPGFLVQRKBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-6-11(7-5-2)13-15-14-12(10-17)16(13)8-9-18-3/h11,17H,4-10H2,1-3H3.
What are the key properties of [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 82995518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).