N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine

C16H29N5 — CID 43748050

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)NC(C)c2nnc3n2CCC3)CC1
InChIInChI=1S/C16H29N5/c1-4-20-10-7-14(8-11-20)12(2)17-13(3)16-19-18-15-6-5-9-21(15)16/h12-14,17H,4-11H2,1-3H3
InChIKeyPRWVTGREVHYUSH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 43748050) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID43748050
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)NC(C)c2nnc3n2CCC3)CC1
InChIInChI=1S/C16H29N5/c1-4-20-10-7-14(8-11-20)12(2)17-13(3)16-19-18-15-6-5-9-21(15)16/h12-14,17H,4-11H2,1-3H3
InChIKeyPRWVTGREVHYUSH-UHFFFAOYSA-N
XLogP2.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine (CID 43748050) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine is CCN1CCC(C(C)NC(C)c2nnc3n2CCC3)CC1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is PRWVTGREVHYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-20-10-7-14(8-11-20)12(2)17-13(3)16-19-18-15-6-5-9-21(15)16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43748050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).