4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione

C7H10N6O2 — CID 107409379

IUPAC4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1ncc(CN)c1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H10N6O2/c1-12-5(4(2-8)3-9-12)13-6(14)10-11-7(13)15/h3H,2,8H2,1H3,(H,10,14)(H,11,15)
InChIKeyAMGBMMPLFRFADQ-UHFFFAOYSA-N
MW210.20 g/mol
LogP-1.95
Rot. Bonds2

About 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione

4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409379) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409379
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1ncc(CN)c1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H10N6O2/c1-12-5(4(2-8)3-9-12)13-6(14)10-11-7(13)15/h3H,2,8H2,1H3,(H,10,14)(H,11,15)
InChIKeyAMGBMMPLFRFADQ-UHFFFAOYSA-N
XLogP-1.95
TPSA114.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine
CID 79686695
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
CID 10419704
2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
CID 79503838
2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-4H-isoquinoline-1,3-dione
CID 79503931
(5-methoxy-1-methylpyrazol-4-yl)methanamine
CID 82594286
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
CID 79504292
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine
CID 165448322
4-(aminomethyl)-1-tert-butylpyrazol-5-amine
CID 115069508
3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 138991240
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide
CID 79504385

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione (CID 107409379) is 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione is Cn1ncc(CN)c1-n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is AMGBMMPLFRFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c1-12-5(4(2-8)3-9-12)13-6(14)10-11-7(13)15/h3H,2,8H2,1H3,(H,10,14)(H,11,15).
What are the key properties of 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione?
4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 210.20 g/mol, XLogP of -1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).