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

C17H20N8 — CID 171327156

IUPAC6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCc1nnc2c(N3CC(N(C)c4cc(C5CC5)ncn4)C3)nccn12
InChIInChI=1S/C17H20N8/c1-11-21-22-17-16(18-5-6-25(11)17)24-8-13(9-24)23(2)15-7-14(12-3-4-12)19-10-20-15/h5-7,10,12-13H,3-4,8-9H2,1-2H3
InChIKeyMHDUZKVNUAOSGS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.43
Rot. Bonds4

About 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine

6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 171327156) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID171327156
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCc1nnc2c(N3CC(N(C)c4cc(C5CC5)ncn4)C3)nccn12
InChIInChI=1S/C17H20N8/c1-11-21-22-17-16(18-5-6-25(11)17)24-8-13(9-24)23(2)15-7-14(12-3-4-12)19-10-20-15/h5-7,10,12-13H,3-4,8-9H2,1-2H3
InChIKeyMHDUZKVNUAOSGS-UHFFFAOYSA-N
XLogP1.43
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
CID 171327443
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171327427
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
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
5-methoxy-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-1,3-benzothiazol-2-amine
CID 171327687
6-fluoro-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-1,3-benzothiazol-2-amine
CID 171334947
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 171327526
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 171327471
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 146078864

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine (CID 171327156) is 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine is Cc1nnc2c(N3CC(N(C)c4cc(C5CC5)ncn4)C3)nccn12.
What is the InChIKey of 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is MHDUZKVNUAOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-11-21-22-17-16(18-5-6-25(11)17)24-8-13(9-24)23(2)15-7-14(12-3-4-12)19-10-20-15/h5-7,10,12-13H,3-4,8-9H2,1-2H3.
What are the key properties of 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine?
6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171327156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).