N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H16N6O2 — CID 135100774

IUPACN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1nc2ncccn2n1
InChIInChI=1S/C16H16N6O2/c23-15(14-20-16-18-4-1-7-22(16)21-14)19-13-10-24-9-12(13)8-11-2-5-17-6-3-11/h1-7,12-13H,8-10H2,(H,19,23)/t12-,13+/m1/s1
InChIKeyQPUCEWUHALKXBY-OLZOCXBDSA-N
MW324.34 g/mol
LogP0.51
Rot. Bonds4

About N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135100774) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135100774
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1nc2ncccn2n1
InChIInChI=1S/C16H16N6O2/c23-15(14-20-16-18-4-1-7-22(16)21-14)19-13-10-24-9-12(13)8-11-2-5-17-6-3-11/h1-7,12-13H,8-10H2,(H,19,23)/t12-,13+/m1/s1
InChIKeyQPUCEWUHALKXBY-OLZOCXBDSA-N
XLogP0.51
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080832
N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133128415
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
1-methyl-5-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4H-1,2,4-triazole-3-carboxamide
CID 162637258
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758
2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 135106889
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 135100774) is N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1nc2ncccn2n1.
What is the InChIKey of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QPUCEWUHALKXBY-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(14-20-16-18-4-1-7-22(16)21-14)19-13-10-24-9-12(13)8-11-2-5-17-6-3-11/h1-7,12-13H,8-10H2,(H,19,23)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135100774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).