N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H17N5 — CID 106303380

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCCn1cnnc1CNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H17N5/c1-2-18-9-15-17-13(18)8-14-12-7-6-10-4-3-5-11(10)16-12/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyVOYKFUHZEOEGIH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 106303380) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID106303380
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCCn1cnnc1CNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H17N5/c1-2-18-9-15-17-13(18)8-14-12-7-6-10-4-3-5-11(10)16-12/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyVOYKFUHZEOEGIH-UHFFFAOYSA-N
XLogP1.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 106303380) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CCn1cnnc1CNc1ccc2c(n1)CCC2.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is VOYKFUHZEOEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-18-9-15-17-13(18)8-14-12-7-6-10-4-3-5-11(10)16-12/h6-7,9H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 106303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).