(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane

C15H22N4O — CID 164643401

IUPAC(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(CCOCC3)[C@@H]2C2CC2)nc1C
InChIInChI=1S/C15H22N4O/c1-10-11(2)17-18-14(16-10)19-9-15(5-7-20-8-6-15)13(19)12-3-4-12/h12-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyMXQMWJMGVNTNCO-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.88
Rot. Bonds2

About (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane

(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 164643401) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane
PubChem CID164643401
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(CCOCC3)[C@@H]2C2CC2)nc1C
InChIInChI=1S/C15H22N4O/c1-10-11(2)17-18-14(16-10)19-9-15(5-7-20-8-6-15)13(19)12-3-4-12/h12-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyMXQMWJMGVNTNCO-ZDUSSCGKSA-N
XLogP1.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane (CID 164643401) is (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane is Cc1nnc(N2CC3(CCOCC3)[C@@H]2C2CC2)nc1C.
What is the InChIKey of (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is MXQMWJMGVNTNCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-11(2)17-18-14(16-10)19-9-15(5-7-20-8-6-15)13(19)12-3-4-12/h12-13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane?
(3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 274.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-2-(5,6-dimethyl-1,2,4-triazin-3-yl)-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 164643401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).