4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine

C16H29N5 — CID 64575723

IUPAC4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1N1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-16(2,3)12-5-6-13(17-4)14(9-12)20-7-8-21-11-18-19-15(21)10-20/h11-14,17H,5-10H2,1-4H3
InChIKeyJXSKJZNEETXRBQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds2

About 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine

4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine (PubChem CID 64575723) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine
PubChem CID64575723
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1N1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-16(2,3)12-5-6-13(17-4)14(9-12)20-7-8-21-11-18-19-15(21)10-20/h11-14,17H,5-10H2,1-4H3
InChIKeyJXSKJZNEETXRBQ-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine (CID 64575723) is 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1N1CCn2cnnc2C1.
What is the InChIKey of 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine?
The InChIKey is JXSKJZNEETXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-16(2,3)12-5-6-13(17-4)14(9-12)20-7-8-21-11-18-19-15(21)10-20/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine?
4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64575723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).