1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine

C16H24N6 — CID 118165293

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCN(CCc1ccccc1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C16H24N6/c1-21(10-7-13-5-3-2-4-6-13)14-8-11-22(12-9-14)16-18-15(17)19-20-16/h2-6,14H,7-12H2,1H3,(H3,17,18,19,20)
InChIKeyIHAYYZJTSWAPGW-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.53
Rot. Bonds5

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 118165293) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine
PubChem CID118165293
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCN(CCc1ccccc1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C16H24N6/c1-21(10-7-13-5-3-2-4-6-13)14-8-11-22(12-9-14)16-18-15(17)19-20-16/h2-6,14H,7-12H2,1H3,(H3,17,18,19,20)
InChIKeyIHAYYZJTSWAPGW-UHFFFAOYSA-N
XLogP1.53
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine (CID 118165293) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine is CN(CCc1ccccc1)C1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is IHAYYZJTSWAPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-21(10-7-13-5-3-2-4-6-13)14-8-11-22(12-9-14)16-18-15(17)19-20-16/h2-6,14H,7-12H2,1H3,(H3,17,18,19,20).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 118165293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).