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

C10H14N6 — CID 25248658

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(N)c(-c2nnc3n2CCC3)n1
InChIInChI=1S/C10H14N6/c1-2-15-6-7(11)9(14-15)10-13-12-8-4-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyJGJVTLBHDNSLNP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.69
Rot. Bonds2

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

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine (PubChem CID 25248658) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine
PubChem CID25248658
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(N)c(-c2nnc3n2CCC3)n1
InChIInChI=1S/C10H14N6/c1-2-15-6-7(11)9(14-15)10-13-12-8-4-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyJGJVTLBHDNSLNP-UHFFFAOYSA-N
XLogP0.69
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine (CID 25248658) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine is CCn1cc(N)c(-c2nnc3n2CCC3)n1.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine?
The InChIKey is JGJVTLBHDNSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-15-6-7(11)9(14-15)10-13-12-8-4-3-5-16(8)10/h6H,2-5,11H2,1H3.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 25248658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).