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

C12H21N3O3 — CID 103558661

IUPAC[5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CC1(OC)CCC1
InChIInChI=1S/C12H21N3O3/c1-17-7-6-15-10(13-14-11(15)9-16)8-12(18-2)4-3-5-12/h16H,3-9H2,1-2H3
InChIKeyWSAULKUZSZXFCE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.53
Rot. Bonds7

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

[5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103558661) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103558661
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CC1(OC)CCC1
InChIInChI=1S/C12H21N3O3/c1-17-7-6-15-10(13-14-11(15)9-16)8-12(18-2)4-3-5-12/h16H,3-9H2,1-2H3
InChIKeyWSAULKUZSZXFCE-UHFFFAOYSA-N
XLogP0.53
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3,3-Difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114226800
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
[4-(2-Methoxyethyl)-5-(4-methylcyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81879632
[5-Heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 82995518
(4-Ethyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995674
(5-Heptan-4-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 82995675
(5-Heptan-4-yl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 82995748
[5-Heptan-4-yl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82995749
[5-(1-Cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 83152473
[4-(2-Methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103022864
[5-(2-Methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022865
[5-(2-Methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022866

Frequently Asked Questions

What is the IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 103558661) is [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1CC1(OC)CCC1.
What is the InChIKey of [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is WSAULKUZSZXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-17-7-6-15-10(13-14-11(15)9-16)8-12(18-2)4-3-5-12/h16H,3-9H2,1-2H3.
What are the key properties of [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103558661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).