N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C14H17N5O2 — CID 133114666

IUPACN-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]2CCC[C@H]21)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C14H17N5O2/c20-12(18-11-5-4-8-2-1-3-9(8)11)10-6-15-14-16-7-17-19(14)13(10)21/h6-9,11H,1-5H2,(H,18,20)(H,15,16,17)/t8-,9-,11-/m1/s1
InChIKeyOMBKNSHDXUTSLC-FXPVBKGRSA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds2

About N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 133114666) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID133114666
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]2CCC[C@H]21)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C14H17N5O2/c20-12(18-11-5-4-8-2-1-3-9(8)11)10-6-15-14-16-7-17-19(14)13(10)21/h6-9,11H,1-5H2,(H,18,20)(H,15,16,17)/t8-,9-,11-/m1/s1
InChIKeyOMBKNSHDXUTSLC-FXPVBKGRSA-N
XLogP0.73
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 156604629
N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 133131803
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70766801
N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 156605806
5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 124731181
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoropyridine-2-carboxamide
CID 70785492
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 90649929
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 90651733
2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 90650543
6-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98267258
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897941
2-[3-[(3R)-1-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126451242

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 133114666) is N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is O=C(N[C@@H]1CC[C@H]2CCC[C@H]21)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OMBKNSHDXUTSLC-FXPVBKGRSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12(18-11-5-4-8-2-1-3-9(8)11)10-6-15-14-16-7-17-19(14)13(10)21/h6-9,11H,1-5H2,(H,18,20)(H,15,16,17)/t8-,9-,11-/m1/s1.
What are the key properties of N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 133114666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).