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

C16H29N5 — CID 64575162

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1N1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-4-7-17-13-5-6-16(2,3)10-14(13)20-8-9-21-12-18-19-15(21)11-20/h12-14,17H,4-11H2,1-3H3
InChIKeyLRNGQVMNLZKSCQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.04
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64575162) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64575162
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1N1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-4-7-17-13-5-6-16(2,3)10-14(13)20-8-9-21-12-18-19-15(21)11-20/h12-14,17H,4-11H2,1-3H3
InChIKeyLRNGQVMNLZKSCQ-UHFFFAOYSA-N
XLogP2.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.04
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-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine (CID 64575162) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is LRNGQVMNLZKSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-7-17-13-5-6-16(2,3)10-14(13)20-8-9-21-12-18-19-15(21)11-20/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.04, 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-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64575162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).