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

C15H20ClN5 — CID 102800246

IUPAC1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(Cc3ccccc3Cl)n2)CC1
InChIInChI=1S/C15H20ClN5/c1-17-12-6-8-21(9-7-12)15-18-14(19-20-15)10-11-4-2-3-5-13(11)16/h2-5,12,17H,6-10H2,1H3,(H,18,19,20)
InChIKeyMYZNBXVCENDIKS-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.24
Rot. Bonds4

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

1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 102800246) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID102800246
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(Cc3ccccc3Cl)n2)CC1
InChIInChI=1S/C15H20ClN5/c1-17-12-6-8-21(9-7-12)15-18-14(19-20-15)10-11-4-2-3-5-13(11)16/h2-5,12,17H,6-10H2,1H3,(H,18,19,20)
InChIKeyMYZNBXVCENDIKS-UHFFFAOYSA-N
XLogP2.24
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793818
(3S)-1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797858
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 3310784
3,5-dimethyl-1-[5-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102797419
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 61354179
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794329
1-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792811
1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103400516
3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 136678085

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (CID 102800246) is 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is CNC1CCN(c2n[nH]c(Cc3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is MYZNBXVCENDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-17-12-6-8-21(9-7-12)15-18-14(19-20-15)10-11-4-2-3-5-13(11)16/h2-5,12,17H,6-10H2,1H3,(H,18,19,20).
What are the key properties of 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 102800246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).