1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine

C19H28N6 — CID 118165260

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCc1ccc(C2CC2)cc1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C19H28N6/c1-24(11-8-14-2-4-15(5-3-14)16-6-7-16)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h2-5,16-17H,6-13H2,1H3,(H3,20,21,22,23)
InChIKeyAGFTURTXLJUQAU-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.41
Rot. Bonds6

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 118165260) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine
PubChem CID118165260
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCc1ccc(C2CC2)cc1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C19H28N6/c1-24(11-8-14-2-4-15(5-3-14)16-6-7-16)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h2-5,16-17H,6-13H2,1H3,(H3,20,21,22,23)
InChIKeyAGFTURTXLJUQAU-UHFFFAOYSA-N
XLogP2.41
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine
CID 118165287
1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine
CID 118165313
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenethyl)-N-isobutylpiperidin-4-amine
CID 118165440
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-ethylpiperidin-4-amine
CID 118165200
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-ethylpiperidin-4-amine
CID 118165257
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165354
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118165472
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 118165621
5-[4-(Diphenylmethyl)-1-piperazinyl]-1H-1,2,4-triazol-3-amine
CID 1485885
3-[4-[3-(4-chlorophenyl)piperidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155515495
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165445

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine (CID 118165260) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine is CN(CCc1ccc(C2CC2)cc1)C1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is AGFTURTXLJUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-24(11-8-14-2-4-15(5-3-14)16-6-7-16)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h2-5,16-17H,6-13H2,1H3,(H3,20,21,22,23).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 2.41, 6 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-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118165260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).