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

C14H24N4 — CID 64502142

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2nnc3n2CCC3)C1
InChIInChI=1S/C14H24N4/c1-3-11-6-7-12(9-11)15-10(2)14-17-16-13-5-4-8-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyWDNSBQPYMYLMRW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds4

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine (PubChem CID 64502142) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine
PubChem CID64502142
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2nnc3n2CCC3)C1
InChIInChI=1S/C14H24N4/c1-3-11-6-7-12(9-11)15-10(2)14-17-16-13-5-4-8-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyWDNSBQPYMYLMRW-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3-ethylcyclopentan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine (CID 64502142) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine is CCC1CCC(NC(C)c2nnc3n2CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine?
The InChIKey is WDNSBQPYMYLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-11-6-7-12(9-11)15-10(2)14-17-16-13-5-4-8-18(13)14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64502142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).