N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

C17H17N7 — CID 71977874

IUPACN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESCc1cc(C)n2cc(CNc3ccc(-n4cncn4)cc3)nc2n1
InChIInChI=1S/C17H17N7/c1-12-7-13(2)23-9-15(22-17(23)21-12)8-19-14-3-5-16(6-4-14)24-11-18-10-20-24/h3-7,9-11,19H,8H2,1-2H3
InChIKeyDFDUJCDJVKDHGT-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.54
Rot. Bonds4

About N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 71977874) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
PubChem CID71977874
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESCc1cc(C)n2cc(CNc3ccc(-n4cncn4)cc3)nc2n1
InChIInChI=1S/C17H17N7/c1-12-7-13(2)23-9-15(22-17(23)21-12)8-19-14-3-5-16(6-4-14)24-11-18-10-20-24/h3-7,9-11,19H,8H2,1-2H3
InChIKeyDFDUJCDJVKDHGT-UHFFFAOYSA-N
XLogP2.54
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline with MolForge

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Related Compounds

N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 87033232
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
N-[(3,4-dichlorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60928159
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 167965681
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 78895283
2,2-dimethyl-3-[4-(1,2,4-triazol-1-yl)anilino]propan-1-ol
CID 81411336
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 87011161
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
CID 78795409

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (CID 71977874) is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is Cc1cc(C)n2cc(CNc3ccc(-n4cncn4)cc3)nc2n1.
What is the InChIKey of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is DFDUJCDJVKDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-12-7-13(2)23-9-15(22-17(23)21-12)8-19-14-3-5-16(6-4-14)24-11-18-10-20-24/h3-7,9-11,19H,8H2,1-2H3.
What are the key properties of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 319.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 71977874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).