2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine

C14H25N5 — CID 64580410

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-2-15-13-6-4-3-5-12(13)9-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyRZZCTVVGTRFQIW-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.26
Rot. Bonds4

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine (PubChem CID 64580410) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
PubChem CID64580410
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-2-15-13-6-4-3-5-12(13)9-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyRZZCTVVGTRFQIW-UHFFFAOYSA-N
XLogP1.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine (CID 64580410) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine?
The InChIKey is RZZCTVVGTRFQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-15-13-6-4-3-5-12(13)9-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64580410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).