3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one

C6H13N5O — CID 137003793

IUPAC3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCNCCN(C)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H13N5O/c1-7-3-4-11(2)5-8-6(12)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,12)
InChIKeyRPIQLTNVTNSKIT-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.25
Rot. Bonds4

About 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one

3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137003793) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137003793
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCNCCN(C)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H13N5O/c1-7-3-4-11(2)5-8-6(12)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,12)
InChIKeyRPIQLTNVTNSKIT-UHFFFAOYSA-N
XLogP-1.25
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one (CID 137003793) is 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one is CNCCN(C)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is RPIQLTNVTNSKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-7-3-4-11(2)5-8-6(12)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,12).
What are the key properties of 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one?
3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 171.20 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(methylamino)ethyl]amino]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137003793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).