N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5O — CID 18095938

IUPACN,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCOc2ccccc2C)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-12-6-4-5-7-14(12)22-9-8-20(3)15-10-13(2)19-16-17-11-18-21(15)16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyDJWDWALKTPBIAS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.26
Rot. Bonds5

About N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18095938) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18095938
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCOc2ccccc2C)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-12-6-4-5-7-14(12)22-9-8-20(3)15-10-13(2)19-16-17-11-18-21(15)16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyDJWDWALKTPBIAS-UHFFFAOYSA-N
XLogP2.26
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]pyridin-2-amine
CID 133313504
N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55922269
N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
CID 133303949
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94819136
N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293620

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18095938) is N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)CCOc2ccccc2C)n2ncnc2n1.
What is the InChIKey of N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DJWDWALKTPBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-6-4-5-7-14(12)22-9-8-20(3)15-10-13(2)19-16-17-11-18-21(15)16/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18095938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).