5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one

C6H12N4O — CID 82841791

IUPAC5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1C
InChIInChI=1S/C6H12N4O/c1-4-7-5-8-10(3)6(11)9(5)2/h4H2,1-3H3,(H,7,8)
InChIKeyKHSUMUODXRVDBF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds2

About 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one

5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 82841791) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID82841791
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1C
InChIInChI=1S/C6H12N4O/c1-4-7-5-8-10(3)6(11)9(5)2/h4H2,1-3H3,(H,7,8)
InChIKeyKHSUMUODXRVDBF-UHFFFAOYSA-N
XLogP-0.45
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-(methylamino)-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 116013743
5-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 116013744
4-ethyl-3-(methylamino)-1H-1,2,4-triazol-5-one
CID 14817548
3-(ethylamino)-4-methyl-1H-1,2,4-triazol-5-one
CID 21655897
5-(Dimethylamino)-4-methyl-2-[(propan-2-ylamino)methyl]-1,2,4-triazol-3-one
CID 53768103
N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 54066326
3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one
CID 67860426
4-Ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841789
2-Methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one
CID 82841873
2-methyl-5-(propan-2-ylamino)-4H-1,2,4-triazol-3-one
CID 136394499
3-[3-Aminopropyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
CID 136965068
3-[2-Aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
CID 137003792

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one (CID 82841791) is 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one is CCNc1nn(C)c(=O)n1C.
What is the InChIKey of 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is KHSUMUODXRVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-7-5-8-10(3)6(11)9(5)2/h4H2,1-3H3,(H,7,8).
What are the key properties of 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one?
5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 156.19 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).