N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine

C17H21N7S — CID 171334628

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
SMILESCc1nnc2c(N3CC(N(C)Cc4csc(C5CC5)n4)C3)nccn12
InChIInChI=1S/C17H21N7S/c1-11-20-21-16-15(18-5-6-24(11)16)23-8-14(9-23)22(2)7-13-10-25-17(19-13)12-3-4-12/h5-6,10,12,14H,3-4,7-9H2,1-2H3
InChIKeyNOKDOZZWMLSGAD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.09
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine (PubChem CID 171334628) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
PubChem CID171334628
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
SMILESCc1nnc2c(N3CC(N(C)Cc4csc(C5CC5)n4)C3)nccn12
InChIInChI=1S/C17H21N7S/c1-11-20-21-16-15(18-5-6-24(11)16)23-8-14(9-23)22(2)7-13-10-25-17(19-13)12-3-4-12/h5-6,10,12,14H,3-4,7-9H2,1-2H3
InChIKeyNOKDOZZWMLSGAD-UHFFFAOYSA-N
XLogP2.09
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine (CID 171334628) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine is Cc1nnc2c(N3CC(N(C)Cc4csc(C5CC5)n4)C3)nccn12.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The InChIKey is NOKDOZZWMLSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-11-20-21-16-15(18-5-6-24(11)16)23-8-14(9-23)22(2)7-13-10-25-17(19-13)12-3-4-12/h5-6,10,12,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine has a molecular weight of 355.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine is sourced from PubChem (CID 171334628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).