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

C10H19N5 — CID 66276681

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1(C)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H19N5/c1-3-10(2)4-6-15(7-5-10)9-12-8(11)13-14-9/h3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyKGKZCUIRCYFQEJ-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.40
Rot. Bonds2

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

3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276681) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276681
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1(C)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H19N5/c1-3-10(2)4-6-15(7-5-10)9-12-8(11)13-14-9/h3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyKGKZCUIRCYFQEJ-UHFFFAOYSA-N
XLogP1.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66276681) is 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is CCC1(C)CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is KGKZCUIRCYFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-3-10(2)4-6-15(7-5-10)9-12-8(11)13-14-9/h3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 209.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).