3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one

C4H8N4O — CID 135873057

IUPAC3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H8N4O/c5-2-1-3-6-4(9)8-7-3/h1-2,5H2,(H2,6,7,8,9)
InChIKeyWLCYCYCYWDHXAO-UHFFFAOYSA-N
MW128.14 g/mol
LogP-1.40
Rot. Bonds2

About 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135873057) has the molecular formula C4H8N4O and a molecular weight of 128.14 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135873057
Molecular FormulaC4H8N4O
Molecular Weight128.14 g/mol
Exact Mass128.07
IUPAC Name3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H8N4O/c5-2-1-3-6-4(9)8-7-3/h1-2,5H2,(H2,6,7,8,9)
InChIKeyWLCYCYCYWDHXAO-UHFFFAOYSA-N
XLogP-1.40
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1H-1,2,4-triazol-5(4H)-one
CID 135449528
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-(2-aminoethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 135966760
5-(1-aminoethyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135980018
4-amino-3-(2-hydrazinoethyl)-1H-1,2,4-triazol-5-one; formaldehyde
CID 384780
5-(3-Aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CID 135966759
5-(1-Amino-ethyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 135742573
3-ethyl-4-(methylamino)-1H-1,2,4-triazol-5-one
CID 14801431
5-(2-Aminoethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 51000361
4,5-dihydro-1H-pyrazol-3-ylurea
CID 67370012
3-(2-Aminoethyl)-2-methyl-1,4-dihydro-1,2,4-triazol-2-ium-5-one
CID 123805605

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135873057) is 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one is NCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is WLCYCYCYWDHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-2-1-3-6-4(9)8-7-3/h1-2,5H2,(H2,6,7,8,9).
What are the key properties of 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 128.14 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135873057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).