5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one

C6H12N4O — CID 82841338

IUPAC5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(N)nn(C)c1=O
InChIInChI=1S/C6H12N4O/c1-3-4-10-5(7)8-9(2)6(10)11/h3-4H2,1-2H3,(H2,7,8)
InChIKeyMENXAXBBBCTLHN-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.43
Rot. Bonds2

About 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one

5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one (PubChem CID 82841338) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one
PubChem CID82841338
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(N)nn(C)c1=O
InChIInChI=1S/C6H12N4O/c1-3-4-10-5(7)8-9(2)6(10)11/h3-4H2,1-2H3,(H2,7,8)
InChIKeyMENXAXBBBCTLHN-UHFFFAOYSA-N
XLogP-0.43
TPSA65.84 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 ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(methylamino)-1H-1,2,4-triazol-5-one
CID 14817548
5-(Dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one
CID 20731877
4-Ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 22278482
8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
CID 45088415
4-propyl-1H-1,2,4-triazol-5-one
CID 53710292
4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one
CID 58460131
3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59297006
3-(diethylamino)-4-methyl-1H-1,2,4-triazol-5-one
CID 67860426
5-Chloro-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 82840636
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-4-propyl-1,2,4-triazol-3-one
CID 130621978

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one?
The IUPAC name of 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one (CID 82841338) is 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one is CCCn1c(N)nn(C)c1=O.
What is the InChIKey of 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one?
The InChIKey is MENXAXBBBCTLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-4-10-5(7)8-9(2)6(10)11/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one?
5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one has a molecular weight of 156.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).