5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide

C14H14N4O2 — CID 169404378

IUPAC5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide
SMILESCC1(C)C=Cc2cc(-c3n[nH]nc3C(N)=O)ccc2O1
InChIInChI=1S/C14H14N4O2/c1-14(2)6-5-8-7-9(3-4-10(8)20-14)11-12(13(15)19)17-18-16-11/h3-7H,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyBGJOYYBZCNGJHQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.75
Rot. Bonds2

About 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide

5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide (PubChem CID 169404378) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide
PubChem CID169404378
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide
SMILESCC1(C)C=Cc2cc(-c3n[nH]nc3C(N)=O)ccc2O1
InChIInChI=1S/C14H14N4O2/c1-14(2)6-5-8-7-9(3-4-10(8)20-14)11-12(13(15)19)17-18-16-11/h3-7H,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyBGJOYYBZCNGJHQ-UHFFFAOYSA-N
XLogP1.75
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2H-triazole-4-carboxamide
CID 169403260
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole
CID 54144618
2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile
CID 169398397
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
CID 169403832
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide (CID 169404378) is 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide is CC1(C)C=Cc2cc(-c3n[nH]nc3C(N)=O)ccc2O1.
What is the InChIKey of 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide?
The InChIKey is BGJOYYBZCNGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-14(2)6-5-8-7-9(3-4-10(8)20-14)11-12(13(15)19)17-18-16-11/h3-7H,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide?
5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).