4-propan-2-yl-1,3,5-triazine-2-carboxamide

C7H10N4O — CID 140726361

IUPAC4-propan-2-yl-1,3,5-triazine-2-carboxamide
SMILESCC(C)c1ncnc(C(N)=O)n1
InChIInChI=1S/C7H10N4O/c1-4(2)6-9-3-10-7(11-6)5(8)12/h3-4H,1-2H3,(H2,8,12)
InChIKeyRZMMUUKKUIXYGO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.09
Rot. Bonds2

About 4-propan-2-yl-1,3,5-triazine-2-carboxamide

4-propan-2-yl-1,3,5-triazine-2-carboxamide (PubChem CID 140726361) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-propan-2-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1,3,5-triazine-2-carboxamide
PubChem CID140726361
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-propan-2-yl-1,3,5-triazine-2-carboxamide
SMILESCC(C)c1ncnc(C(N)=O)n1
InChIInChI=1S/C7H10N4O/c1-4(2)6-9-3-10-7(11-6)5(8)12/h3-4H,1-2H3,(H2,8,12)
InChIKeyRZMMUUKKUIXYGO-UHFFFAOYSA-N
XLogP0.09
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-propan-2-yl-1,3,5-triazine-2-carboxamide (CID 140726361) is 4-propan-2-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-1,3,5-triazine-2-carboxamide is CC(C)c1ncnc(C(N)=O)n1.
What is the InChIKey of 4-propan-2-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is RZMMUUKKUIXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4(2)6-9-3-10-7(11-6)5(8)12/h3-4H,1-2H3,(H2,8,12).
What are the key properties of 4-propan-2-yl-1,3,5-triazine-2-carboxamide?
4-propan-2-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).