N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine

C11H20N4 — CID 50954666

IUPACN-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine
SMILESCCCn1cnnc1CNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-7-15-9-13-14-11(15)8-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyMTNVNDADBPUXJM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds5

About N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine (PubChem CID 50954666) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine
PubChem CID50954666
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine
SMILESCCCn1cnnc1CNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-7-15-9-13-14-11(15)8-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyMTNVNDADBPUXJM-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine (CID 50954666) is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine is CCCn1cnnc1CNC1CCCC1.
What is the InChIKey of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine?
The InChIKey is MTNVNDADBPUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-7-15-9-13-14-11(15)8-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine?
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine has a molecular weight of 208.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 50954666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).