N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide

C13H13N5O — CID 64512455

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H13N5O/c1-18(7-12-15-8-16-17-12)13(19)10-3-2-4-11-9(10)5-6-14-11/h2-6,8,14H,7H2,1H3,(H,15,16,17)
InChIKeyPYHKKBUIMIRNGY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide (PubChem CID 64512455) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
PubChem CID64512455
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H13N5O/c1-18(7-12-15-8-16-17-12)13(19)10-3-2-4-11-9(10)5-6-14-11/h2-6,8,14H,7H2,1H3,(H,15,16,17)
InChIKeyPYHKKBUIMIRNGY-UHFFFAOYSA-N
XLogP1.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64517704
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide
CID 64510104
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)benzamide
CID 64512037
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
CID 60959512
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide (CID 64512455) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide?
The InChIKey is PYHKKBUIMIRNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18(7-12-15-8-16-17-12)13(19)10-3-2-4-11-9(10)5-6-14-11/h2-6,8,14H,7H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 64512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).