1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione

C12H18N4O2 — CID 122538140

IUPAC1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCCCC1C(=O)N(c2cn[nH]c2)C(=O)N(C)C1C
InChIInChI=1S/C12H18N4O2/c1-4-5-10-8(2)15(3)12(18)16(11(10)17)9-6-13-14-7-9/h6-8,10H,4-5H2,1-3H3,(H,13,14)
InChIKeyKYCFTAAAROEPNX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds3

About 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione

1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 122538140) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID122538140
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCCCC1C(=O)N(c2cn[nH]c2)C(=O)N(C)C1C
InChIInChI=1S/C12H18N4O2/c1-4-5-10-8(2)15(3)12(18)16(11(10)17)9-6-13-14-7-9/h6-8,10H,4-5H2,1-3H3,(H,13,14)
InChIKeyKYCFTAAAROEPNX-UHFFFAOYSA-N
XLogP1.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (CID 122538140) is 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is CCCC1C(=O)N(c2cn[nH]c2)C(=O)N(C)C1C.
What is the InChIKey of 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is KYCFTAAAROEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-5-10-8(2)15(3)12(18)16(11(10)17)9-6-13-14-7-9/h6-8,10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 250.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-propyl-3-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122538140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).