4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol

C16H21N5O3 — CID 168931729

IUPAC4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
SMILESCn1nnc(-c2ncc(O)c(C3CC3)n2)c1COC1CCCCO1
InChIInChI=1S/C16H21N5O3/c1-21-11(9-24-13-4-2-3-7-23-13)15(19-20-21)16-17-8-12(22)14(18-16)10-5-6-10/h8,10,13,22H,2-7,9H2,1H3
InChIKeyYRLIFWNQNCCKGB-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.90
Rot. Bonds5

About 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol

4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol (PubChem CID 168931729) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
PubChem CID168931729
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
SMILESCn1nnc(-c2ncc(O)c(C3CC3)n2)c1COC1CCCCO1
InChIInChI=1S/C16H21N5O3/c1-21-11(9-24-13-4-2-3-7-23-13)15(19-20-21)16-17-8-12(22)14(18-16)10-5-6-10/h8,10,13,22H,2-7,9H2,1H3
InChIKeyYRLIFWNQNCCKGB-UHFFFAOYSA-N
XLogP1.90
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol 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

2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
CID 154936316
2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
CID 175906941
methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 175234506
ethyl (1S,2R,5R)-2-[[6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 164831227
3-[4-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155123427
methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
methyl 2-[5-[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-3-yl]acetate
CID 166105611
propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
5-bromo-4-ethyl-2-[1-methyl-5-(oxan-2-yloxymethyl)pyrazol-4-yl]pyrimidine
CID 169096053
[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
CID 175538273
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol?
The IUPAC name of 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol (CID 168931729) is 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol.
What is the SMILES notation for 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol?
The canonical SMILES for 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol is Cn1nnc(-c2ncc(O)c(C3CC3)n2)c1COC1CCCCO1.
What is the InChIKey of 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol?
The InChIKey is YRLIFWNQNCCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-11(9-24-13-4-2-3-7-23-13)15(19-20-21)16-17-8-12(22)14(18-16)10-5-6-10/h8,10,13,22H,2-7,9H2,1H3.
What are the key properties of 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol?
4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol has a molecular weight of 331.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol is sourced from PubChem (CID 168931729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).