6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione

C8H12N4O2 — CID 61222032

IUPAC6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-8(2)3-4(8)9-5-6(13)10-7(14)12-11-5/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyGTWRZQCLRZWPIT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.33
Rot. Bonds2

About 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61222032) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61222032
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)CC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-8(2)3-4(8)9-5-6(13)10-7(14)12-11-5/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyGTWRZQCLRZWPIT-UHFFFAOYSA-N
XLogP-0.33
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 61222032) is 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione is CC1(C)CC1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GTWRZQCLRZWPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-8(2)3-4(8)9-5-6(13)10-7(14)12-11-5/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61222032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).