1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

C16H18N6O — CID 86284048

IUPAC1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C16H18N6O/c23-16(13-2-1-12-3-4-17-14(12)9-13)22-7-5-21(6-8-22)10-15-18-11-19-20-15/h1-4,9,11,17H,5-8,10H2,(H,18,19,20)
InChIKeyHAYFGCSBMPTZMZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.24
Rot. Bonds3

About 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 86284048) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID86284048
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C16H18N6O/c23-16(13-2-1-12-3-4-17-14(12)9-13)22-7-5-21(6-8-22)10-15-18-11-19-20-15/h1-4,9,11,17H,5-8,10H2,(H,18,19,20)
InChIKeyHAYFGCSBMPTZMZ-UHFFFAOYSA-N
XLogP1.24
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119060567
[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 77085773
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119066707
(3-ethyl-1H-indol-2-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119059382
1H-indol-6-yl-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 138386314
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 90653710
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (CID 86284048) is 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HAYFGCSBMPTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(13-2-1-12-3-4-17-14(12)9-13)22-7-5-21(6-8-22)10-15-18-11-19-20-15/h1-4,9,11,17H,5-8,10H2,(H,18,19,20).
What are the key properties of 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86284048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).