3-propyl-1,4-dihydro-1,2,4-triazol-5-one

C5H9N3O — CID 135449528

IUPAC3-propyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N3O/c1-2-3-4-6-5(9)8-7-4/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyPWAHGRCNQLPWEG-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.05
Rot. Bonds2

About 3-propyl-1,4-dihydro-1,2,4-triazol-5-one

3-propyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135449528) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-propyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-propyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135449528
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-propyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N3O/c1-2-3-4-6-5(9)8-7-4/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyPWAHGRCNQLPWEG-UHFFFAOYSA-N
XLogP0.05
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Isobutyl-1,2-dihydro-[1,2,4]triazol-3-one
CID 135449536
5-methyl-1H-1,2,4-triazol-3-ol
CID 135429738
4-amino-3-ethyl-1H-1,2,4-triazol-5-one
CID 384491
3-Ethyl-1,4-dihydro-1,2,4-triazol-5-one
CID 135489810
5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135966758
3-(tert-butyl)-1H-1,2,4-triazol-5(4H)-one
CID 135736966
3-(2-Aminoethyl)-1H-1,2,4-triazol-5(4H)-one
CID 135873057
5-(3-Aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CID 135966759
5-ethyl-2-methyl-4H-1,2,4-triazol-3-one
CID 136313162
3-(2,2,2-Trifluoroethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136067229
3-(3,3,3-Trifluoropropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136283613
4-methyl-3-propyl-1H-1,2,4-triazol-5-one
CID 12235073

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-propyl-1,4-dihydro-1,2,4-triazol-5-one (CID 135449528) is 3-propyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-propyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-propyl-1,4-dihydro-1,2,4-triazol-5-one is CCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-propyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is PWAHGRCNQLPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-3-4-6-5(9)8-7-4/h2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of 3-propyl-1,4-dihydro-1,2,4-triazol-5-one?
3-propyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 127.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135449528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).