4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one

C6H9N3O2 — CID 156527932

IUPAC4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CO)n1C1CC1
InChIInChI=1S/C6H9N3O2/c10-3-5-7-8-6(11)9(5)4-1-2-4/h4,10H,1-3H2,(H,8,11)
InChIKeyNCQZLEMDQKDXRE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.60
Rot. Bonds2

About 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one (PubChem CID 156527932) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one
PubChem CID156527932
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CO)n1C1CC1
InChIInChI=1S/C6H9N3O2/c10-3-5-7-8-6(11)9(5)4-1-2-4/h4,10H,1-3H2,(H,8,11)
InChIKeyNCQZLEMDQKDXRE-UHFFFAOYSA-N
XLogP-0.60
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 389497
3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 154642263
3-(methoxymethyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59296989
3-(hydroxymethyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59296998
4-Ethyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 131212648
3-(hydroxymethyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 142335819
2-Deuterio-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 175708567
4-Ethyl-3-(1-hydroxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 45083224
4-cyclopropyl-1-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953672

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one (CID 156527932) is 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CO)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is NCQZLEMDQKDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-3-5-7-8-6(11)9(5)4-1-2-4/h4,10H,1-3H2,(H,8,11).
What are the key properties of 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 155.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 156527932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).