1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol

C17H22N6O — CID 18975339

IUPAC1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
SMILESOC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCNCC1
InChIInChI=1S/C17H22N6O/c24-15(10-22-5-3-18-4-6-22)7-13-9-19-17-2-1-14(8-16(13)17)23-11-20-21-12-23/h1-2,8-9,11-12,15,18-19,24H,3-7,10H2
InChIKeyVZCWJCHCUAIEFY-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.56
Rot. Bonds5

About 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol

1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol (PubChem CID 18975339) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
PubChem CID18975339
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
SMILESOC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCNCC1
InChIInChI=1S/C17H22N6O/c24-15(10-22-5-3-18-4-6-22)7-13-9-19-17-2-1-14(8-16(13)17)23-11-20-21-12-23/h1-2,8-9,11-12,15,18-19,24H,3-7,10H2
InChIKeyVZCWJCHCUAIEFY-UHFFFAOYSA-N
XLogP0.56
TPSA82.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-[(2R)-2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 70101925
(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
CID 10611350
(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 10736491
3-[(2R)-2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594021
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
3-[2-fluoro-3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10575553
2-(4-fluorophenyl)-2-[[1-[2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol
CID 10743348
3-[3-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 54217225
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
3-phenyl-3-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]propan-1-ol
CID 67594131

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol (CID 18975339) is 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol is OC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The InChIKey is VZCWJCHCUAIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-15(10-22-5-3-18-4-6-22)7-13-9-19-17-2-1-14(8-16(13)17)23-11-20-21-12-23/h1-2,8-9,11-12,15,18-19,24H,3-7,10H2.
What are the key properties of 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol has a molecular weight of 326.40 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol is sourced from PubChem (CID 18975339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).