ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol

C11H22N4O — CID 144883536

IUPACethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC.CN1CCC(n2cnnc2CO)CC1
InChIInChI=1S/C9H16N4O.C2H6/c1-12-4-2-8(3-5-12)13-7-10-11-9(13)6-14;1-2/h7-8,14H,2-6H2,1H3;1-2H3
InChIKeyJOWMHBDNTDGRGU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds2

About ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol

ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 144883536) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Nameethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID144883536
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Nameethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC.CN1CCC(n2cnnc2CO)CC1
InChIInChI=1S/C9H16N4O.C2H6/c1-12-4-2-8(3-5-12)13-7-10-11-9(13)6-14;1-2/h7-8,14H,2-6H2,1H3;1-2H3
InChIKeyJOWMHBDNTDGRGU-UHFFFAOYSA-N
XLogP1.06
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
(3S*,4S*)-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
CID 77078671
2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
CID 164634157
[4-(5,5,5-Trifluoropentyl)-1,2,4-triazol-3-yl]methanol
CID 115523337
4-n-butyl-3-hydroxymethyl-4H-1,2,4-triazole
CID 22938709
4-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 57708392
4-(3-Methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903775
4-[3-(Hydroxymethyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylic acid
CID 68745137
[4-(1-Methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
CID 81665438
1-Tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 118230662

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol (CID 144883536) is ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol is CC.CN1CCC(n2cnnc2CO)CC1.
What is the InChIKey of ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is JOWMHBDNTDGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.C2H6/c1-12-4-2-8(3-5-12)13-7-10-11-9(13)6-14;1-2/h7-8,14H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 226.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 144883536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).