N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C14H25N5O — CID 102799705

IUPACN-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(C3(C)CCCO3)n2)C1
InChIInChI=1S/C14H25N5O/c1-14(6-4-8-20-14)12-16-13(18-17-12)19-7-3-5-11(10-19)9-15-2/h11,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOUVHESHEQNEGNT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.27
Rot. Bonds4

About N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799705) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799705
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(C3(C)CCCO3)n2)C1
InChIInChI=1S/C14H25N5O/c1-14(6-4-8-20-14)12-16-13(18-17-12)19-7-3-5-11(10-19)9-15-2/h11,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOUVHESHEQNEGNT-UHFFFAOYSA-N
XLogP1.27
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine with MolForge

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Related Compounds

1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
N-methyl-1-[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799633
1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799695
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
N-methyl-1-[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103510849
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
1-[1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799712
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
1-[5-(1-methylcyclohexyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 106826728

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799705) is N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CNCC1CCCN(c2n[nH]c(C3(C)CCCO3)n2)C1.
What is the InChIKey of N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is OUVHESHEQNEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(6-4-8-20-14)12-16-13(18-17-12)19-7-3-5-11(10-19)9-15-2/h11,15H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).