1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine

C15H27N5 — CID 102798588

IUPAC1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(C2CCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-11-13(16)9-6-10-20(11)15-17-14(18-19-15)12-7-4-2-3-5-8-12/h11-13H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyNTPMWZVDFRRDPS-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.56
Rot. Bonds2

About 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine

1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine (PubChem CID 102798588) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
PubChem CID102798588
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(C2CCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-11-13(16)9-6-10-20(11)15-17-14(18-19-15)12-7-4-2-3-5-8-12/h11-13H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyNTPMWZVDFRRDPS-UHFFFAOYSA-N
XLogP2.56
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107176897
2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798705
1-[5-(1,1-dioxothian-2-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798774
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798713
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
2-methyl-1-(5-octyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102798574
1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798769
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798801
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798724

Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine?
The IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine (CID 102798588) is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine is CC1C(N)CCCN1c1n[nH]c(C2CCCCCC2)n1.
What is the InChIKey of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine?
The InChIKey is NTPMWZVDFRRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-13(16)9-6-10-20(11)15-17-14(18-19-15)12-7-4-2-3-5-8-12/h11-13H,2-10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine?
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine has a molecular weight of 277.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine is sourced from PubChem (CID 102798588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).