5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one

C10H14N10O — CID 80910159

IUPAC5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESNNc1nc(NCC2CCC(=O)N2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N10O/c11-19-9-16-8(13-3-6-1-2-7(21)15-6)17-10(18-9)20-5-12-4-14-20/h4-6H,1-3,11H2,(H,15,21)(H2,13,16,17,18,19)
InChIKeyOTEDTWBDWFXQBC-UHFFFAOYSA-N
MW290.29 g/mol
LogP-1.57
Rot. Bonds5

About 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one

5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80910159) has the molecular formula C10H14N10O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80910159
Molecular FormulaC10H14N10O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESNNc1nc(NCC2CCC(=O)N2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N10O/c11-19-9-16-8(13-3-6-1-2-7(21)15-6)17-10(18-9)20-5-12-4-14-20/h4-6H,1-3,11H2,(H,15,21)(H2,13,16,17,18,19)
InChIKeyOTEDTWBDWFXQBC-UHFFFAOYSA-N
XLogP-1.57
TPSA148.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
4-hydrazinyl-N-(thian-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80929006
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
[4-piperazin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80918042
4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113488474
N-(1,1-dioxothiolan-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80912949
2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311874
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80925470
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 80910159) is 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is NNc1nc(NCC2CCC(=O)N2)nc(-n2cncn2)n1.
What is the InChIKey of 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is OTEDTWBDWFXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N10O/c11-19-9-16-8(13-3-6-1-2-7(21)15-6)17-10(18-9)20-5-12-4-14-20/h4-6H,1-3,11H2,(H,15,21)(H2,13,16,17,18,19).
What are the key properties of 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 290.29 g/mol, XLogP of -1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80910159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).