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

C14H19N5O2 — CID 126450640

IUPAC7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCC[C@H]3CCCOC3)nnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-5-7-19-12(17-18-14(19)16-10)13(20)15-6-4-11-3-2-8-21-9-11/h5,7,11H,2-4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyXLTDLZOTYVLULF-LLVKDONJSA-N
MW289.34 g/mol
LogP0.98
Rot. Bonds4

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

7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 126450640) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID126450640
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCC[C@H]3CCCOC3)nnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-5-7-19-12(17-18-14(19)16-10)13(20)15-6-4-11-3-2-8-21-9-11/h5,7,11H,2-4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyXLTDLZOTYVLULF-LLVKDONJSA-N
XLogP0.98
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide with MolForge

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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
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
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 122561636
N-[2-[ethyl(methyl)amino]-2-methylpropyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 121495742
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95874324
5-methyl-3-N-[2-(oxan-3-yl)ethyl]-2-[(1S)-1-phenylethyl]-1H-pyrazole-3,5-dicarboxamide
CID 175950239
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
5,7-dimethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124750862
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 126450640) is 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1ccn2c(C(=O)NCC[C@H]3CCCOC3)nnc2n1.
What is the InChIKey of 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is XLTDLZOTYVLULF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-5-7-19-12(17-18-14(19)16-10)13(20)15-6-4-11-3-2-8-21-9-11/h5,7,11H,2-4,6,8-9H2,1H3,(H,15,20)/t11-/m1/s1.
What are the key properties of 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126450640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).