N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H20N6O2 — CID 131929480

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H20N6O2/c1-9(2)19-7-10(11(8-19)22-3)16-13(21)12-17-14-15-5-4-6-20(14)18-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyAOTLHWGCRZRZBA-QWRGUYRKSA-N
MW304.35 g/mol
LogP-0.04
Rot. Bonds4

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 131929480) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID131929480
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H20N6O2/c1-9(2)19-7-10(11(8-19)22-3)16-13(21)12-17-14-15-5-4-6-20(14)18-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyAOTLHWGCRZRZBA-QWRGUYRKSA-N
XLogP-0.04
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 131929480) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AOTLHWGCRZRZBA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-9(2)19-7-10(11(8-19)22-3)16-13(21)12-17-14-15-5-4-6-20(14)18-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,21)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 131929480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).