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

C9H17N5 — CID 66275384

IUPAC3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H17N5/c1-9(2)3-5-14(6-4-9)8-11-7(10)12-13-8/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeySKMBOFRTEMJVMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.01
Rot. Bonds1

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

3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66275384) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66275384
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H17N5/c1-9(2)3-5-14(6-4-9)8-11-7(10)12-13-8/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeySKMBOFRTEMJVMB-UHFFFAOYSA-N
XLogP1.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66275384) is 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is CC1(C)CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is SKMBOFRTEMJVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(2)3-5-14(6-4-9)8-11-7(10)12-13-8/h3-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 195.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66275384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).