3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C14H15N5O — CID 60983559

IUPAC3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c20-14(16-8-13-17-9-18-19-13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,9,15H,5-6,8H2,(H,16,20)(H,17,18,19)
InChIKeySYFCKDQMDMATAW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.53
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60983559) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60983559
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c20-14(16-8-13-17-9-18-19-13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,9,15H,5-6,8H2,(H,16,20)(H,17,18,19)
InChIKeySYFCKDQMDMATAW-UHFFFAOYSA-N
XLogP1.53
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62325597
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60983559) is 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1ncn[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is SYFCKDQMDMATAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(16-8-13-17-9-18-19-13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,9,15H,5-6,8H2,(H,16,20)(H,17,18,19).
What are the key properties of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60983559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).