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

C13H21N7 — CID 103510849

IUPACN-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(-c3cncn3C)n2)C1
InChIInChI=1S/C13H21N7/c1-14-6-10-4-3-5-20(8-10)13-16-12(17-18-13)11-7-15-9-19(11)2/h7,9-10,14H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyPHIAFOAIRWRBPC-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.64
Rot. Bonds4

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

N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 103510849) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID103510849
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(-c3cncn3C)n2)C1
InChIInChI=1S/C13H21N7/c1-14-6-10-4-3-5-20(8-10)13-16-12(17-18-13)11-7-15-9-19(11)2/h7,9-10,14H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyPHIAFOAIRWRBPC-UHFFFAOYSA-N
XLogP0.64
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
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-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
1-[1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799712
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
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800138
N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799705

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 103510849) is N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CNCC1CCCN(c2n[nH]c(-c3cncn3C)n2)C1.
What is the InChIKey of N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is PHIAFOAIRWRBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-14-6-10-4-3-5-20(8-10)13-16-12(17-18-13)11-7-15-9-19(11)2/h7,9-10,14H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 103510849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).