N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C14H16N4O — CID 103726002

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC2)c1ncn[nH]1
InChIInChI=1S/C14H16N4O/c1-9(13-15-8-16-18-13)17-14(19)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyZTZARHWDBZDHFD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 103726002) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID103726002
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCC2)c1ncn[nH]1
InChIInChI=1S/C14H16N4O/c1-9(13-15-8-16-18-13)17-14(19)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyZTZARHWDBZDHFD-UHFFFAOYSA-N
XLogP1.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725984
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 103726002) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CCC2)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ZTZARHWDBZDHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(13-15-8-16-18-13)17-14(19)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 103726002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).