N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H23N5O2 — CID 97100590

IUPACN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2
InChIInChI=1S/C17H23N5O2/c1-4-24-13-9-12(17(13)6-5-7-17)19-15(23)14-20-16-18-10(2)8-11(3)22(16)21-14/h8,12-13H,4-7,9H2,1-3H3,(H,19,23)/t12-,13+/m0/s1
InChIKeyWIBUOEIOKCSZPD-QWHCGFSZSA-N
MW329.40 g/mol
LogP1.82
Rot. Bonds4

About N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 97100590) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID97100590
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2
InChIInChI=1S/C17H23N5O2/c1-4-24-13-9-12(17(13)6-5-7-17)19-15(23)14-20-16-18-10(2)8-11(3)22(16)21-14/h8,12-13H,4-7,9H2,1-3H3,(H,19,23)/t12-,13+/m0/s1
InChIKeyWIBUOEIOKCSZPD-QWHCGFSZSA-N
XLogP1.82
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 97100530
N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 97100545
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
N-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 97100539
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-[1-(hydroxymethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 62516858
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 71925662
N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119567628
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71980633

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 97100590) is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCO[C@@H]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WIBUOEIOKCSZPD-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-24-13-9-12(17(13)6-5-7-17)19-15(23)14-20-16-18-10(2)8-11(3)22(16)21-14/h8,12-13H,4-7,9H2,1-3H3,(H,19,23)/t12-,13+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 97100590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).