N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H17N5 — CID 133439192

IUPACN-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)CN(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C16H17N5/c1-12(2)10-20(3)15-9-14(13-7-5-4-6-8-13)19-16-17-11-18-21(15)16/h4-9,11H,1,10H2,2-3H3
InChIKeyZCCDTPQWEFNJJG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133439192) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133439192
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)CN(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C16H17N5/c1-12(2)10-20(3)15-9-14(13-7-5-4-6-8-13)19-16-17-11-18-21(15)16/h4-9,11H,1,10H2,2-3H3
InChIKeyZCCDTPQWEFNJJG-UHFFFAOYSA-N
XLogP2.80
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439168
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167821765
N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78799849
N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356751
N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55922269
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
CID 71866571
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133439192) is N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C=C(C)CN(C)c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZCCDTPQWEFNJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12(2)10-20(3)15-9-14(13-7-5-4-6-8-13)19-16-17-11-18-21(15)16/h4-9,11H,1,10H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133439192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).