1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol

C12H17N5O — CID 3073369

IUPAC1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1
InChIInChI=1S/C12H17N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-9,18H,1-6H2,(H,13,14,15,16)
InChIKeySNKWGWNGFDFNOU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.50
Rot. Bonds4

About 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol

1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol (PubChem CID 3073369) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol
PubChem CID3073369
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1
InChIInChI=1S/C12H17N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-9,18H,1-6H2,(H,13,14,15,16)
InChIKeySNKWGWNGFDFNOU-UHFFFAOYSA-N
XLogP0.50
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol (CID 3073369) is 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol is OC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1.
What is the InChIKey of 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol?
The InChIKey is SNKWGWNGFDFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-9,18H,1-6H2,(H,13,14,15,16).
What are the key properties of 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol?
1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol has a molecular weight of 247.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol is sourced from PubChem (CID 3073369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).