N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H20N6S — CID 64577921

IUPACN-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCn3cnnc3C2)nc1C1CC1
InChIInChI=1S/C14H20N6S/c1-2-15-7-11-13(10-3-4-10)17-14(21-11)19-5-6-20-9-16-18-12(20)8-19/h9-10,15H,2-8H2,1H3
InChIKeyDQPZTWNAKGEIPU-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.74
Rot. Bonds5

About N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 64577921) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID64577921
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCn3cnnc3C2)nc1C1CC1
InChIInChI=1S/C14H20N6S/c1-2-15-7-11-13(10-3-4-10)17-14(21-11)19-5-6-20-9-16-18-12(20)8-19/h9-10,15H,2-8H2,1H3
InChIKeyDQPZTWNAKGEIPU-UHFFFAOYSA-N
XLogP1.74
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine
CID 64580056
N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63916198
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 64580444
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 64579840
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 64580439
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437923
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 64575731
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63917159
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 64579666

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 64577921) is N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCn3cnnc3C2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DQPZTWNAKGEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-15-7-11-13(10-3-4-10)17-14(21-11)19-5-6-20-9-16-18-12(20)8-19/h9-10,15H,2-8H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 304.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 64577921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).