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

C13H25N5 — CID 64579635

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-4-5-14-9-13(2,3)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,4-10H2,1-3H3
InChIKeyYUGQLRCMTYZMFL-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.12
Rot. Bonds6

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 64579635) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID64579635
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-4-5-14-9-13(2,3)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,4-10H2,1-3H3
InChIKeyYUGQLRCMTYZMFL-UHFFFAOYSA-N
XLogP1.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
CID 64580209
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66453247
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N,2-dimethylpentan-1-amine
CID 64578275
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate
CID 64578452
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
CID 64579638
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826630
methyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-methylpropanoate
CID 64577079
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
CID 64580628
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcyclopentan-1-amine
CID 64578664
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 63025475

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 64579635) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)CN1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is YUGQLRCMTYZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-5-14-9-13(2,3)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 64579635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).