(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid

C15H22N4O4 — CID 97111175

IUPAC(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2nnn(CC3CC3)c2[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-7-10(13(20)21)12-11(8-18)16-17-19(12)6-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyUENUOWXITKKJCJ-SNVBAGLBSA-N
MW322.37 g/mol
LogP1.61
Rot. Bonds3

About (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid

(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 97111175) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid
PubChem CID97111175
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2nnn(CC3CC3)c2[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-7-10(13(20)21)12-11(8-18)16-17-19(12)6-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyUENUOWXITKKJCJ-SNVBAGLBSA-N
XLogP1.61
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid (CID 97111175) is (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1Cc2nnn(CC3CC3)c2[C@H](C(=O)O)C1.
What is the InChIKey of (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is UENUOWXITKKJCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-7-10(13(20)21)12-11(8-18)16-17-19(12)6-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid?
(7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 97111175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).