N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H15N5O2 — CID 77092923

IUPACN-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCOC1)c1nc2ncccn2n1
InChIInChI=1S/C12H15N5O2/c18-11(14-7-9-3-1-6-19-8-9)10-15-12-13-4-2-5-17(12)16-10/h2,4-5,9H,1,3,6-8H2,(H,14,18)
InChIKeyQQOMZCHIVAECBG-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.28
Rot. Bonds3

About N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77092923) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77092923
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCOC1)c1nc2ncccn2n1
InChIInChI=1S/C12H15N5O2/c18-11(14-7-9-3-1-6-19-8-9)10-15-12-13-4-2-5-17(12)16-10/h2,4-5,9H,1,3,6-8H2,(H,14,18)
InChIKeyQQOMZCHIVAECBG-UHFFFAOYSA-N
XLogP0.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 77092923) is N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCOC1)c1nc2ncccn2n1.
What is the InChIKey of N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QQOMZCHIVAECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-11(14-7-9-3-1-6-19-8-9)10-15-12-13-4-2-5-17(12)16-10/h2,4-5,9H,1,3,6-8H2,(H,14,18).
What are the key properties of N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77092923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).