4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine

C11H15N5O — CID 113280344

IUPAC4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine
SMILESCc1cc2nnc(C3(N)CCOCC3)n2cn1
InChIInChI=1S/C11H15N5O/c1-8-6-9-14-15-10(16(9)7-13-8)11(12)2-4-17-5-3-11/h6-7H,2-5,12H2,1H3
InChIKeyIECAWBDNOSQRSU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.40
Rot. Bonds1

About 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine

4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine (PubChem CID 113280344) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine
PubChem CID113280344
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine
SMILESCc1cc2nnc(C3(N)CCOCC3)n2cn1
InChIInChI=1S/C11H15N5O/c1-8-6-9-14-15-10(16(9)7-13-8)11(12)2-4-17-5-3-11/h6-7H,2-5,12H2,1H3
InChIKeyIECAWBDNOSQRSU-UHFFFAOYSA-N
XLogP0.40
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine?
The IUPAC name of 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine (CID 113280344) is 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine.
What is the SMILES notation for 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine?
The canonical SMILES for 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine is Cc1cc2nnc(C3(N)CCOCC3)n2cn1.
What is the InChIKey of 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine?
The InChIKey is IECAWBDNOSQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-6-9-14-15-10(16(9)7-13-8)11(12)2-4-17-5-3-11/h6-7H,2-5,12H2,1H3.
What are the key properties of 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine?
4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine has a molecular weight of 233.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine is sourced from PubChem (CID 113280344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).