1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine

C11H21N5 — CID 83891348

IUPAC1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(N2CCC(C)CC2)n[nH]1
InChIInChI=1S/C11H21N5/c1-8-3-5-16(6-4-8)11-13-10(14-15-11)7-9(2)12/h8-9H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyJDEMDQKTYRUCEA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.93
Rot. Bonds3

About 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine

1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine (PubChem CID 83891348) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
PubChem CID83891348
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(N2CCC(C)CC2)n[nH]1
InChIInChI=1S/C11H21N5/c1-8-3-5-16(6-4-8)11-13-10(14-15-11)7-9(2)12/h8-9H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyJDEMDQKTYRUCEA-UHFFFAOYSA-N
XLogP0.93
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
[1-[5-(2-methylbutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800704
4-methyl-1-[5-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 166235027
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
CID 61319976
1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine
CID 166265085
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine (CID 83891348) is 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine is CC(N)Cc1nc(N2CCC(C)CC2)n[nH]1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine?
The InChIKey is JDEMDQKTYRUCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8-3-5-16(6-4-8)11-13-10(14-15-11)7-9(2)12/h8-9H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine?
1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine is sourced from PubChem (CID 83891348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).