N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide

C14H16N4O2 — CID 64511060

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-18(8-13-15-9-16-17-13)14(19)11-6-7-20-12-5-3-2-4-10(11)12/h2-5,9,11H,6-8H2,1H3,(H,15,16,17)
InChIKeySWYDUTQJMIETQS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 64511060) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID64511060
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-18(8-13-15-9-16-17-13)14(19)11-6-7-20-12-5-3-2-4-10(11)12/h2-5,9,11H,6-8H2,1H3,(H,15,16,17)
InChIKeySWYDUTQJMIETQS-UHFFFAOYSA-N
XLogP1.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 127266589
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 96525406
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95767867
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291
1-[2-[3,4-dihydro-2H-chromene-4-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236272
(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 81141505
N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 126783549
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64517287

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 64511060) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is SWYDUTQJMIETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(8-13-15-9-16-17-13)14(19)11-6-7-20-12-5-3-2-4-10(11)12/h2-5,9,11H,6-8H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 64511060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).