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

C11H20N4 — CID 115688865

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCn1cnnc1CNC1CCCC1C
InChIInChI=1S/C11H20N4/c1-3-15-8-13-14-11(15)7-12-10-6-4-5-9(10)2/h8-10,12H,3-7H2,1-2H3
InChIKeyYDMQWGMPIBGQOB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 115688865) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID115688865
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCn1cnnc1CNC1CCCC1C
InChIInChI=1S/C11H20N4/c1-3-15-8-13-14-11(15)7-12-10-6-4-5-9(10)2/h8-10,12H,3-7H2,1-2H3
InChIKeyYDMQWGMPIBGQOB-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine (CID 115688865) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine is CCn1cnnc1CNC1CCCC1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is YDMQWGMPIBGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15-8-13-14-11(15)7-12-10-6-4-5-9(10)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115688865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).