3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one

C7H14N4O — CID 67860426

IUPAC3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCN(CC)c1n[nH]c(=O)n1C
InChIInChI=1S/C7H14N4O/c1-4-11(5-2)6-8-9-7(12)10(6)3/h4-5H2,1-3H3,(H,9,12)
InChIKeyFJKIFARQTRYNOH-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.05
Rot. Bonds3

About 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one

3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 67860426) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID67860426
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCN(CC)c1n[nH]c(=O)n1C
InChIInChI=1S/C7H14N4O/c1-4-11(5-2)6-8-9-7(12)10(6)3/h4-5H2,1-3H3,(H,9,12)
InChIKeyFJKIFARQTRYNOH-UHFFFAOYSA-N
XLogP-0.05
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-4-(difluoromethyl)-1H-1,2,4-triazol-5-one
CID 19957967
4-ethyl-3-(methylamino)-1H-1,2,4-triazol-5-one
CID 14817548
3-(diethylamino)-4-(dimethylamino)-1H-1,2,4-triazol-5-one
CID 20084619
3-(ethylamino)-4-methyl-1H-1,2,4-triazol-5-one
CID 21655897
3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59297006
4-Ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841789
3-amino-4-(2-methylpropyl)-1H-1,2,4-triazol-5-one
CID 134172282
3-amino-4-butan-2-yl-1H-1,2,4-triazol-5-one
CID 135276931
3-(Diethylamino)-1,4-dihydro-1,2,4-triazol-5-one
CID 135682418
3-[2-(Dimethylamino)ethyl-methylamino]-1,4-dihydro-1,2,4-triazol-5-one
CID 137003773
3-[Methyl(propyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
CID 137003782
3-[Methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one
CID 137003784

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one (CID 67860426) is 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one is CCN(CC)c1n[nH]c(=O)n1C.
What is the InChIKey of 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is FJKIFARQTRYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-11(5-2)6-8-9-7(12)10(6)3/h4-5H2,1-3H3,(H,9,12).
What are the key properties of 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one?
3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 170.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 67860426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).