4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one

C12H25N5O — CID 131908253

IUPAC4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one
SMILESCC(CN(C)C(C)C)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C12H25N5O/c1-9(2)16(4)8-10(3)13-7-6-11-14-15-12(18)17(11)5/h9-10,13H,6-8H2,1-5H3,(H,15,18)
InChIKeyRFWANBAHKASLLC-UHFFFAOYSA-N
MW255.37 g/mol
LogP-0.03
Rot. Bonds7

About 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one

4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one (PubChem CID 131908253) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one
PubChem CID131908253
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one
SMILESCC(CN(C)C(C)C)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C12H25N5O/c1-9(2)16(4)8-10(3)13-7-6-11-14-15-12(18)17(11)5/h9-10,13H,6-8H2,1-5H3,(H,15,18)
InChIKeyRFWANBAHKASLLC-UHFFFAOYSA-N
XLogP-0.03
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-(1-aminoethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 121553705
3-[(1S)-1-(cyclohexylamino)ethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 164637395
3-(1-aminoethyl)-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 116013733
5-(1-Amino-ethyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 135742573
4-ethyl-5-(1-pyrrolidin-1-ylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50982700
3-(1-aminopropyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 102654945
3-[(Propan-2-ylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135843071
N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136452483
3-[(Ditert-butylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146586301
4-methyl-3-[(propan-2-ylamino)methyl]-1H-1,2,4-triazol-5-one
CID 164585124
3-[(Ethylamino)methyl]-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one
CID 164656960
Ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one
CID 178109460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one (CID 131908253) is 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one is CC(CN(C)C(C)C)NCCc1n[nH]c(=O)n1C.
What is the InChIKey of 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one?
The InChIKey is RFWANBAHKASLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-9(2)16(4)8-10(3)13-7-6-11-14-15-12(18)17(11)5/h9-10,13H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one?
4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one has a molecular weight of 255.37 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[1-[methyl(propan-2-yl)amino]propan-2-ylamino]ethyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 131908253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).