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

C12H21N5O — CID 64575707

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine
SMILESCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C12H21N5O/c1-10-6-12(8-13,2-5-18-10)17-4-3-16-9-14-15-11(16)7-17/h9-10H,2-8,13H2,1H3
InChIKeyZXKLUCWGDUOCLN-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.01
Rot. Bonds2

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine (PubChem CID 64575707) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine
PubChem CID64575707
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine
SMILESCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C12H21N5O/c1-10-6-12(8-13,2-5-18-10)17-4-3-16-9-14-15-11(16)7-17/h9-10H,2-8,13H2,1H3
InChIKeyZXKLUCWGDUOCLN-UHFFFAOYSA-N
XLogP-0.01
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
CID 86770994
[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxan-4-yl]methanamine
CID 64575699
2-ethyl-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
CID 64101827
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxan-4-amine
CID 64102028
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine
CID 64574762
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine
CID 64574785
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyloxan-4-amine
CID 64574977
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine
CID 64575139
7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575451
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine
CID 64575894
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine
CID 64575897
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine
CID 64576081

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine (CID 64575707) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine is CC1CC(CN)(N2CCn3cnnc3C2)CCO1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine?
The InChIKey is ZXKLUCWGDUOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-6-12(8-13,2-5-18-10)17-4-3-16-9-14-15-11(16)7-17/h9-10H,2-8,13H2,1H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyloxan-4-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of -0.01, 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)-2-methyloxan-4-yl]methanamine is sourced from PubChem (CID 64575707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).