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

C11H22N4 — CID 43703195

IUPAC4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1nncn1C
InChIInChI=1S/C11H22N4/c1-8(2)6-9(3)13-10(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3
InChIKeyNUIRMYJZUSHCME-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds5

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

4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (PubChem CID 43703195) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
PubChem CID43703195
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1nncn1C
InChIInChI=1S/C11H22N4/c1-8(2)6-9(3)13-10(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3
InChIKeyNUIRMYJZUSHCME-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (CID 43703195) is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is CC(C)CC(C)NC(C)c1nncn1C.
What is the InChIKey of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The InChIKey is NUIRMYJZUSHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)6-9(3)13-10(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3.
What are the key properties of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43703195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).