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

C6H12N4O — CID 137003784

IUPAC3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)N(C)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H12N4O/c1-4(2)10(3)5-7-6(11)9-8-5/h4H,1-3H3,(H2,7,8,9,11)
InChIKeyNNUHHMJBUQFQCE-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds2

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

3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137003784) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137003784
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)N(C)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H12N4O/c1-4(2)10(3)5-7-6(11)9-8-5/h4H,1-3H3,(H2,7,8,9,11)
InChIKeyNNUHHMJBUQFQCE-UHFFFAOYSA-N
XLogP-0.06
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one (CID 137003784) is 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one is CC(C)N(C)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is NNUHHMJBUQFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(2)10(3)5-7-6(11)9-8-5/h4H,1-3H3,(H2,7,8,9,11).
What are the key properties of 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 156.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137003784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).