N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C13H17N5O2 — CID 121497655

IUPACN,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(C)C3CCOCC3)nnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-3-6-18-11(15-16-13(18)14-9)12(19)17(2)10-4-7-20-8-5-10/h3,6,10H,4-5,7-8H2,1-2H3
InChIKeyCMRMVIXYKCVMNM-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.68
Rot. Bonds2

About N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 121497655) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID121497655
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(C)C3CCOCC3)nnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-3-6-18-11(15-16-13(18)14-9)12(19)17(2)10-4-7-20-8-5-10/h3,6,10H,4-5,7-8H2,1-2H3
InChIKeyCMRMVIXYKCVMNM-UHFFFAOYSA-N
XLogP0.68
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 62154308
7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 77082153
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
4-(ethylamino)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81243241
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
4-(ethylamino)-N-methyl-N-(oxan-4-yl)benzamide
CID 55047025
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090881

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 121497655) is N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1ccn2c(C(=O)N(C)C3CCOCC3)nnc2n1.
What is the InChIKey of N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is CMRMVIXYKCVMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-3-6-18-11(15-16-13(18)14-9)12(19)17(2)10-4-7-20-8-5-10/h3,6,10H,4-5,7-8H2,1-2H3.
What are the key properties of N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121497655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).