1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol

C11H18N4O — CID 114787392

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol
SMILESCc1nnc(N2CC(O)(C(C)C)C2)nc1C
InChIInChI=1S/C11H18N4O/c1-7(2)11(16)5-15(6-11)10-12-8(3)9(4)13-14-10/h7,16H,5-6H2,1-4H3
InChIKeyCEMZXVVGNRVPAW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds2

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol (PubChem CID 114787392) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol
PubChem CID114787392
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol
SMILESCc1nnc(N2CC(O)(C(C)C)C2)nc1C
InChIInChI=1S/C11H18N4O/c1-7(2)11(16)5-15(6-11)10-12-8(3)9(4)13-14-10/h7,16H,5-6H2,1-4H3
InChIKeyCEMZXVVGNRVPAW-UHFFFAOYSA-N
XLogP0.70
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol (CID 114787392) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol is Cc1nnc(N2CC(O)(C(C)C)C2)nc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol?
The InChIKey is CEMZXVVGNRVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)11(16)5-15(6-11)10-12-8(3)9(4)13-14-10/h7,16H,5-6H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 114787392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).