(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C15H16N4O2 — CID 169408213

IUPAC(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1nncn1C1CC1)[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1
InChIKeyBMUGFKLSYMKHTP-GFCCVEGCSA-N
MW284.32 g/mol
LogP2.12
Rot. Bonds3

About (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide

(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 169408213) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID169408213
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1nncn1C1CC1)[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1
InChIKeyBMUGFKLSYMKHTP-GFCCVEGCSA-N
XLogP2.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 169408213) is (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1nncn1C1CC1)[C@@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is BMUGFKLSYMKHTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1.
What are the key properties of (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
(4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 169408213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).