[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine

C13H24N6 — CID 65074948

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine
SMILESCN1CCCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C13H24N6/c1-17-5-2-3-13(10-14,4-6-17)19-8-7-18-11-15-16-12(18)9-19/h11H,2-10,14H2,1H3
InChIKeySPDAYHXQQBJLQY-UHFFFAOYSA-N
MW264.38 g/mol
LogP-0.09
Rot. Bonds2

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine (PubChem CID 65074948) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine
PubChem CID65074948
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine
SMILESCN1CCCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C13H24N6/c1-17-5-2-3-13(10-14,4-6-17)19-8-7-18-11-15-16-12(18)9-19/h11H,2-10,14H2,1H3
InChIKeySPDAYHXQQBJLQY-UHFFFAOYSA-N
XLogP-0.09
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine (CID 65074948) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine is CN1CCCC(CN)(N2CCn3cnnc3C2)CC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine?
The InChIKey is SPDAYHXQQBJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-17-5-2-3-13(10-14,4-6-17)19-8-7-18-11-15-16-12(18)9-19/h11H,2-10,14H2,1H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine has a molecular weight of 264.38 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-methylazepan-4-yl]methanamine is sourced from PubChem (CID 65074948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).