4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one

C7H11N3O2 — CID 107410805

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CO)CC1
InChIInChI=1S/C7H11N3O2/c11-4-7(1-2-7)3-10-5-8-9-6(10)12/h5,11H,1-4H2,(H,9,12)
InChIKeyUSVJTIQBNHVXRB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.66
Rot. Bonds3

About 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one

4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410805) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID107410805
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CC1(CO)CC1
InChIInChI=1S/C7H11N3O2/c11-4-7(1-2-7)3-10-5-8-9-6(10)12/h5,11H,1-4H2,(H,9,12)
InChIKeyUSVJTIQBNHVXRB-UHFFFAOYSA-N
XLogP-0.66
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410808
1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cycloheptane-1-carboxylic acid
CID 107410412
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410782
4-[(4-aminooxan-4-yl)methyl]-1H-1,2,4-triazol-5-one
CID 164645075
4-[1-(hydroxymethyl)cyclobutyl]-1H-1,2,4-triazol-5-one
CID 107410821
2-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 107410357
4-(3-amino-2-methylpropyl)-1H-1,2,4-triazol-5-one
CID 107410197
[1-[(4-methyl-5-propan-2-ylimidazol-1-yl)methyl]cyclopropyl]methanol
CID 176926831
2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclobutyl]acetic acid
CID 107410375
4-(5-oxo-1H-1,2,4-triazol-4-yl)butanethioamide
CID 107410514
3-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid
CID 107410273
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 99701637

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one (CID 107410805) is 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CC1(CO)CC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is USVJTIQBNHVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-4-7(1-2-7)3-10-5-8-9-6(10)12/h5,11H,1-4H2,(H,9,12).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one?
4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 169.18 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).