N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H19N5O2 — CID 163344652

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)Cc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C17H19N5O2/c1-11-12(2)20-17-18-10-19-22(17)16(11)21(3)9-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyKGSKWFRYMWDYBS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.15
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 163344652) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID163344652
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)Cc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C17H19N5O2/c1-11-12(2)20-17-18-10-19-22(17)16(11)21(3)9-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyKGSKWFRYMWDYBS-UHFFFAOYSA-N
XLogP2.15
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
CID 133381023
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-amine
CID 66501874
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9196022
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
CID 47053126
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
CID 155975046
N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162521756
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
CID 59037622
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-methylsulfonylbenzenesulfonamide
CID 56563992

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 163344652) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)Cc2ccc3c(c2)OCCO3)c1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KGSKWFRYMWDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-12(2)20-17-18-10-19-22(17)16(11)21(3)9-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 163344652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).