N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

C10H19N5 — CID 63332774

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCn1cnnc1CCNC1CCNCC1
InChIInChI=1S/C10H19N5/c1-15-8-13-14-10(15)4-7-12-9-2-5-11-6-3-9/h8-9,11-12H,2-7H2,1H3
InChIKeyRFNYZNOPLPOFFG-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 63332774) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID63332774
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCn1cnnc1CCNC1CCNCC1
InChIInChI=1S/C10H19N5/c1-15-8-13-14-10(15)4-7-12-9-2-5-11-6-3-9/h8-9,11-12H,2-7H2,1H3
InChIKeyRFNYZNOPLPOFFG-UHFFFAOYSA-N
XLogP-0.30
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 63332774) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is Cn1cnnc1CCNC1CCNCC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is RFNYZNOPLPOFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-8-13-14-10(15)4-7-12-9-2-5-11-6-3-9/h8-9,11-12H,2-7H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 209.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 63332774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).