[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

C18H30N6OS — CID 70720670

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCN(C4CCSCC4)CC3)nn2)CC1
InChIInChI=1S/C18H30N6OS/c19-14-1-3-16(4-2-14)24-13-17(20-21-24)18(25)23-9-7-22(8-10-23)15-5-11-26-12-6-15/h13-16H,1-12,19H2
InChIKeyBZASCDRZZUTSRK-UHFFFAOYSA-N
MW378.55 g/mol
LogP1.37
Rot. Bonds3

About [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 70720670) has the molecular formula C18H30N6OS and a molecular weight of 378.55 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID70720670
Molecular FormulaC18H30N6OS
Molecular Weight378.55 g/mol
Exact Mass378.22
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCN(C4CCSCC4)CC3)nn2)CC1
InChIInChI=1S/C18H30N6OS/c19-14-1-3-16(4-2-14)24-13-17(20-21-24)18(25)23-9-7-22(8-10-23)15-5-11-26-12-6-15/h13-16H,1-12,19H2
InChIKeyBZASCDRZZUTSRK-UHFFFAOYSA-N
XLogP1.37
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137340320
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70771529
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 74247946
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[1-(4-aminocyclohexyl)triazol-4-yl]methanone
CID 155919476
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
[1-(4-aminocyclohexyl)triazol-4-yl]-(17-oxa-9,14-diazatricyclo[16.3.1.04,9]docosa-1(22),18,20-trien-14-yl)methanone;dihydrochloride
CID 154922804
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
CID 98260169
[1-(4-aminocyclohexyl)triazol-4-yl]-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methanone
CID 56908233
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 70720670) is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is NC1CCC(n2cc(C(=O)N3CCN(C4CCSCC4)CC3)nn2)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is BZASCDRZZUTSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6OS/c19-14-1-3-16(4-2-14)24-13-17(20-21-24)18(25)23-9-7-22(8-10-23)15-5-11-26-12-6-15/h13-16H,1-12,19H2.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 378.55 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70720670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).