N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C11H19N5 — CID 82853646

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1n[nH]c(CCNC2CCN3CCCC23)n1
InChIInChI=1S/C11H19N5/c1-2-10-9(4-7-16(10)6-1)12-5-3-11-13-8-14-15-11/h8-10,12H,1-7H2,(H,13,14,15)
InChIKeyCWURSQAKBSDIGT-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.17
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853646) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853646
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1n[nH]c(CCNC2CCN3CCCC23)n1
InChIInChI=1S/C11H19N5/c1-2-10-9(4-7-16(10)6-1)12-5-3-11-13-8-14-15-11/h8-10,12H,1-7H2,(H,13,14,15)
InChIKeyCWURSQAKBSDIGT-UHFFFAOYSA-N
XLogP0.17
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853559
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
CID 82853823
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 64545610
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107042292
5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107458
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
N-(2-morpholin-4-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967639
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 64547156

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853646) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1n[nH]c(CCNC2CCN3CCCC23)n1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is CWURSQAKBSDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-10-9(4-7-16(10)6-1)12-5-3-11-13-8-14-15-11/h8-10,12H,1-7H2,(H,13,14,15).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 221.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).