[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol

C9H17N5O — CID 102800344

IUPAC[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCNC1CCN(c2n[nH]c(CO)n2)CC1
InChIInChI=1S/C9H17N5O/c1-10-7-2-4-14(5-3-7)9-11-8(6-15)12-13-9/h7,10,15H,2-6H2,1H3,(H,11,12,13)
InChIKeyFYZQXUJAWWLWRX-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.51
Rot. Bonds3

About [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol

[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 102800344) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID102800344
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCNC1CCN(c2n[nH]c(CO)n2)CC1
InChIInChI=1S/C9H17N5O/c1-10-7-2-4-14(5-3-7)9-11-8(6-15)12-13-9/h7,10,15H,2-6H2,1H3,(H,11,12,13)
InChIKeyFYZQXUJAWWLWRX-UHFFFAOYSA-N
XLogP-0.51
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800246
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103019797
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
CID 102800420
N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114221763
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874

Frequently Asked Questions

What is the IUPAC name of [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol (CID 102800344) is [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol is CNC1CCN(c2n[nH]c(CO)n2)CC1.
What is the InChIKey of [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is FYZQXUJAWWLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-7-2-4-14(5-3-7)9-11-8(6-15)12-13-9/h7,10,15H,2-6H2,1H3,(H,11,12,13).
What are the key properties of [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 211.27 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 102800344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).