N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H16N6O4 — CID 91779568

IUPACN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H16N6O4/c14-10(20)7-23-9-2-5-22-6-8(9)16-12(21)11-17-13-15-3-1-4-19(13)18-11/h1,3-4,8-9H,2,5-7H2,(H2,14,20)(H,16,21)/t8-,9+/m1/s1
InChIKeyJYQKTPCLNWMSLS-BDAKNGLRSA-N
MW320.31 g/mol
LogP-1.49
Rot. Bonds5

About N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91779568) has the molecular formula C13H16N6O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91779568
Molecular FormulaC13H16N6O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H16N6O4/c14-10(20)7-23-9-2-5-22-6-8(9)16-12(21)11-17-13-15-3-1-4-19(13)18-11/h1,3-4,8-9H,2,5-7H2,(H2,14,20)(H,16,21)/t8-,9+/m1/s1
InChIKeyJYQKTPCLNWMSLS-BDAKNGLRSA-N
XLogP-1.49
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 91779568) is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JYQKTPCLNWMSLS-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H16N6O4/c14-10(20)7-23-9-2-5-22-6-8(9)16-12(21)11-17-13-15-3-1-4-19(13)18-11/h1,3-4,8-9H,2,5-7H2,(H2,14,20)(H,16,21)/t8-,9+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 320.31 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91779568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).