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

C14H27N5 — CID 66453247

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCn2cnnc2C1
InChIInChI=1S/C14H27N5/c1-5-6-15-12(2)14(3,4)10-18-7-8-19-11-16-17-13(19)9-18/h11-12,15H,5-10H2,1-4H3
InChIKeyWXGSGIPKSRXZHH-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.51
Rot. Bonds6

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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 66453247) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID66453247
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCn2cnnc2C1
InChIInChI=1S/C14H27N5/c1-5-6-15-12(2)14(3,4)10-18-7-8-19-11-16-17-13(19)9-18/h11-12,15H,5-10H2,1-4H3
InChIKeyWXGSGIPKSRXZHH-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 64579635
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
CID 64580209
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
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N,2-dimethylpentan-1-amine
CID 64578275
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine
CID 64575529
ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate
CID 64578452
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
methyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-methylpropanoate
CID 64577079
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
CID 66453174

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine (CID 66453247) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(C)C(C)(C)CN1CCn2cnnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is WXGSGIPKSRXZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-6-15-12(2)14(3,4)10-18-7-8-19-11-16-17-13(19)9-18/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 66453247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).