6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione

C10H16N4O2 — CID 103742925

IUPAC6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-6(2)10(3-4-10)5-11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBIUUODBGAAHNQQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds4

About 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103742925) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103742925
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-6(2)10(3-4-10)5-11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBIUUODBGAAHNQQ-UHFFFAOYSA-N
XLogP0.31
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115306136
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 116653286
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410703
6-(4-methylpentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646861
6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 54963692
6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61222032
6-(3-methylpentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 61397774
6-(2-methylpentan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 61472284
6-(5-methylhexan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 61517385
6-(2-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 62694584
6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63760373

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103742925) is 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC(C)C1(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BIUUODBGAAHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)10(3-4-10)5-11-7-8(15)12-9(16)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 224.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103742925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).