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

C14H25N5 — CID 64579470

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCn3cnnc3C2)C1
InChIInChI=1S/C14H25N5/c1-12-3-2-4-13(9-12)15-5-6-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyVHBGNSXYEJUGJH-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.26
Rot. Bonds4

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

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 64579470) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID64579470
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCn3cnnc3C2)C1
InChIInChI=1S/C14H25N5/c1-12-3-2-4-13(9-12)15-5-6-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyVHBGNSXYEJUGJH-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 N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine (CID 64579470) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCCN2CCn3cnnc3C2)C1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is VHBGNSXYEJUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-3-2-4-13(9-12)15-5-6-18-7-8-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-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 N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64579470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).