1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide

C15H15N7O — CID 72510858

IUPAC1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(-c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C15H15N7O/c16-12(23)10-7-4-8-22(10)15-11-14(20-21-19-11)17-13(18-15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,16,23)(H,17,18,19,20,21)
InChIKeyDWEQQRCNEJSMKC-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.87
Rot. Bonds3

About 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide

1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide (PubChem CID 72510858) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
PubChem CID72510858
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(-c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C15H15N7O/c16-12(23)10-7-4-8-22(10)15-11-14(20-21-19-11)17-13(18-15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,16,23)(H,17,18,19,20,21)
InChIKeyDWEQQRCNEJSMKC-UHFFFAOYSA-N
XLogP0.87
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid;sulfane
CID 158310498
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetic acid;sulfane
CID 161407686
methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 159135141
methyl 2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetate;sulfane
CID 162051298
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 67266146

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide (CID 72510858) is 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc(-c2ccccc2)nc2n[nH]nc12.
What is the InChIKey of 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is DWEQQRCNEJSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c16-12(23)10-7-4-8-22(10)15-11-14(20-21-19-11)17-13(18-15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,16,23)(H,17,18,19,20,21).
What are the key properties of 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72510858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).